data_5tgy_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 5tgy _Structure_validation_residue.Date_analyzed 2017-08-04 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.2 mt -49.81 -38.42 34.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.698 174.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -70.23 -44.61 68.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.521 0.2 . . . . 0.0 111.282 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.62 -32.11 73.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.854 0.359 . . . . 0.0 110.957 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -87.97 -19.11 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.215 0.531 . . . . 0.0 110.338 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.21 -42.74 9.15 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.56 -47.87 78.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.923 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -64.93 -40.43 95.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.96 -46.44 90.71 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.107 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG21 ' HD2' ' A' ' 102' ' ' ARG . 73.0 t -63.56 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.437 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.59 -41.65 81.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.4 80.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.226 0.536 . . . . 0.0 109.995 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -64.8 -39.52 93.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.073 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -65.98 -37.44 85.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.63 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.16 -35.54 80.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.769 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.46 -36.89 83.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.93 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.48 -44.74 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.842 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.69 -51.85 67.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.303 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.4 mt -57.71 -35.39 50.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.485 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.3 -47.4 70.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -63.41 -27.07 69.04 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.263 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.43 -4.07 58.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.487 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.77 27.92 56.41 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.301 -0.476 . . . . 0.0 114.081 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.01 84.85 5.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.432 0.616 . . . . 0.0 110.838 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -57.0 -28.42 62.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.412 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.13 -49.38 70.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.041 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -73.58 -31.82 63.8 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.13 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.7 tp -60.0 -45.4 92.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.412 -177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.22 -42.65 98.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.68 0.276 . . . . 0.0 111.475 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.12 -43.75 97.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.108 0.48 . . . . 0.0 110.647 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 39' ' ' ILE . 53.0 t -70.28 -35.44 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 81.8 mt -60.88 -36.58 79.57 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.963 0.411 . . . . 0.0 110.275 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 53.0 mm-40 -70.56 -40.65 73.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp10 -62.17 -43.2 99.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.356 0.598 . . . . 0.0 109.6 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 43' ' ' ILE . 61.7 mt -63.36 -47.04 93.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.398 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -57.28 -40.48 77.83 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.69 178.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 51.4 mm-40 -65.99 -38.98 89.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 110.196 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.3 mt -69.36 -36.26 76.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.0 mt -61.53 -46.19 97.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 81.8 mm-40 -63.13 -41.88 99.4 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.407 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.66 -40.84 96.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.323 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -78.54 -44.0 25.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -65.17 -38.05 89.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.755 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -58.1 -33.52 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.26 -37.43 87.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.195 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -77.65 -33.0 53.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 . . . . . 0 CA--C 1.51 -0.561 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.42 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.67 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.44 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.199 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.62 -44.95 95.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.205 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.42 -29.87 65.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.57 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.468 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -64.3 -49.32 66.65 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.74 -37.32 87.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.874 0.368 . . . . 0.0 110.717 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -62.53 -40.75 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.258 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -61.78 -37.95 86.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 65' ' ' GLY . 58.3 t -65.54 -38.88 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.449 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 77.8 mt-30 -68.7 -38.71 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.214 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.83 -39.26 93.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.831 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.0 mt-30 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.378 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 99.1 mtt180 -67.31 -37.14 82.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.0 -47.82 83.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.646 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -65.4 -36.71 84.79 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.987 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 37.8 mt-10 -61.55 -36.84 81.75 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.73 -30.54 68.18 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.16 -40.42 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.86 -33.6 75.06 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.45 -6.13 58.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.86 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.77 27.61 73.04 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.336 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t70 -91.35 96.97 10.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -72.29 -33.13 67.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.221 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.74 -49.62 74.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.795 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -65.64 -30.72 71.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.726 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.9 mt -59.02 -47.5 84.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.619 0.247 . . . . 0.0 111.032 -178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.34 -41.14 98.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.189 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -68.93 -46.64 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 111.359 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.45 -33.58 76.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.87 -42.92 99.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.229 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 30.9 tt0 -62.15 -45.03 95.22 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.045 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.82 -35.77 81.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.009 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.18 -48.27 76.57 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.822 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.935 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.445 ' NE2' ' HG2' ' A' ' 92' ' ' GLU . 47.5 mt-30 -64.95 -42.12 94.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.061 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -42.72 87.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.941 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.97 -46.88 87.32 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.719 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.817 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HB3' ' HZ2' ' A' ' 100' ' ' LYS . 9.6 mtpm? -71.57 -44.13 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.559 0.219 . . . . 0.0 111.439 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 97' ' ' ALA . 95.9 mt -60.94 -46.21 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.481 ' HD2' HG21 ' A' ' 14' ' ' VAL . 42.0 mtp85 -59.0 -42.87 91.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.587 0.232 . . . . 0.0 111.497 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.57 -46.02 91.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.906 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.1 mt -65.83 -42.8 90.08 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.816 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 mt -48.64 -51.31 28.9 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.007 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 7' ' ' ARG . 53.1 mtt-85 -64.68 -44.53 90.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.722 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 54.1 tt0 -60.12 -47.57 85.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.288 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 p -67.59 -21.82 65.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.76 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.35 -47.62 16.56 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -56.46 -42.04 77.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.104 -0.548 . . . . 0.0 110.723 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 51.7 mt-10 -61.25 -46.07 91.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.302 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.77 -44.77 96.24 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 97.7 t -60.63 -47.61 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.736 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.33 -38.94 74.86 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.395 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.98 77.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -67.21 -38.98 86.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.422 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 87.0 mt-30 -62.4 -37.4 85.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 0.0 109.88 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.561 ' O ' HG12 ' A' ' 23' ' ' ILE . 5.9 ttp180 -68.75 -35.63 77.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.908 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.78 -39.4 88.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -64.47 -46.55 82.58 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.755 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 28.2 tt0 -61.21 -50.01 74.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.896 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 19' ' ' ARG . 48.7 mm -54.68 -37.29 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -70.31 -46.66 63.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.164 0.507 . . . . 0.0 109.941 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.55 -22.03 64.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.326 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 50.9 mtmt -93.09 -6.53 47.87 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.83 26.9 61.1 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.471 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -87.17 80.79 8.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.595 . . . . 0.0 110.021 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.46 -31.01 65.51 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.191 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.91 -48.15 77.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.447 0.641 . . . . 0.0 109.681 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.432 ' OG ' HD13 ' A' ' 23' ' ' ILE . 86.5 p -71.75 -31.01 66.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.956 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 50.0 tp -59.65 -40.97 89.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.285 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 33.7 tt0 -58.37 -44.6 88.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.563 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.27 -39.12 93.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.78 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' ILE . 96.1 t -70.38 -38.23 73.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.753 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.4 mt -61.48 -37.27 83.01 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 41.4 mt-10 -67.21 -40.14 86.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.0 109.854 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.4 mt-10 -67.71 -42.28 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.189 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.537 ' O ' HG13 ' A' ' 43' ' ' ILE . 73.2 mt -63.58 -48.59 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 13.3 tm-20 -57.82 -38.26 75.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.86 -40.48 83.64 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.001 0.429 . . . . 0.0 110.571 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 97.3 mt -68.94 -35.73 77.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.7 mt -60.94 -45.55 98.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 74.0 mm-40 -65.65 -44.81 85.23 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.271 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.76 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.68 -44.61 32.97 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.822 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.501 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 24.2 ttt180 -71.5 -31.51 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 93.9 mt-30 -58.34 -31.32 67.46 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.261 0.553 . . . . 0.0 110.501 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.43 -36.14 65.89 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.955 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.87 -34.45 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.488 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.501 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 63.7 m-20 . . . . . 0 N--CA 1.466 0.374 0 CA-C-O 121.2 0.524 . . . . 0.0 110.484 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 29.6 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.604 0.24 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.53 92.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.811 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.29 93.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.38 -44.67 94.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.983 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.533 ' OE1' ' HA ' ' A' ' 101' ' ' ILE . 3.4 pt20 -70.54 -29.0 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.969 0.414 . . . . 0.0 110.129 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.455 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -63.78 -48.39 77.32 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.9 m-20 -63.54 -37.55 87.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.733 0.302 . . . . 0.0 110.711 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -61.75 -42.42 98.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.285 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -61.91 -37.95 86.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.767 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 65' ' ' GLY . 94.2 t -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.981 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 70.9 mm-40 -62.18 -42.61 99.44 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.01 -39.2 91.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -63.98 -42.49 97.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.379 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 92.7 mt-30 -60.85 -44.57 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.079 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 83.4 mtt180 -65.41 -36.89 85.31 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.54 -47.98 83.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.166 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -65.42 -37.57 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.16 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -38.1 87.53 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.743 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.03 -33.01 74.77 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.531 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.73 -34.75 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.179 0.514 . . . . 0.0 109.685 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -73.21 -34.98 66.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.925 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -81.57 -7.86 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.499 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.16 24.64 76.45 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.657 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.431 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t0 -92.41 96.27 10.15 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -73.48 -31.59 63.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.969 -177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.63 -44.68 93.17 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.463 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.9 m -65.74 -30.54 71.21 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.573 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.9 mt -59.03 -47.25 85.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.161 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -61.81 -41.65 98.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.907 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 -45.22 68.34 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.95 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.84 -36.68 84.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.76 -44.93 94.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.411 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.11 -41.77 85.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.837 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.4 mt -64.56 -48.47 74.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.767 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 29.5 tt0 -60.79 -45.74 93.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.65 -39.7 91.68 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.204 0.526 . . . . 0.0 110.797 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.06 -45.36 70.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.519 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.74 -46.01 91.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.996 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 73.4 mm-40 -60.49 -41.14 93.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.328 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -72.14 -37.02 69.51 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.865 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 97' ' ' ALA . 79.4 mt -61.58 -46.97 95.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.953 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -62.18 -35.25 78.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 109.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.18 -47.46 79.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.916 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.8 mt -73.86 -39.78 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.922 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.749 0 CA-C-O 120.792 0.329 . . . . 0.0 111.374 -178.872 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.3 tptt . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.08 -53.11 21.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -67.22 -37.55 83.79 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.725 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.79 -44.78 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.935 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -73.32 -19.69 60.97 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.959 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -75.54 -49.25 9.34 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.81 -45.03 82.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.487 -0.357 . . . . 0.0 110.915 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.13 -42.31 99.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.374 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.18 -42.15 98.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.748 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HD2' ' A' ' 102' ' ' ARG . 87.9 t -61.74 -47.27 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.834 0.35 . . . . 0.0 110.516 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.58 ' HA ' HE21 ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.12 -45.11 87.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.54 77.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 110.781 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 63.9 t80 -64.56 -39.35 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.247 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -62.99 -38.28 90.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.582 ' O ' HG12 ' A' ' 23' ' ' ILE . 98.5 mtt180 -63.22 -34.23 77.2 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.218 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' C ' HD11 ' A' ' 20' ' ' LEU . 3.1 tm? -58.92 -40.22 83.89 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.69 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -66.42 -42.01 88.39 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.7 -33.05 74.79 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.418 -177.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 19' ' ' ARG . 49.6 mm -78.74 -38.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.516 0.674 . . . . 0.0 109.574 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -72.69 -46.45 53.71 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.662 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.33 -26.18 68.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.152 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -92.68 0.78 57.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.428 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.56 28.25 71.03 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -86.12 79.69 9.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.471 0.636 . . . . 0.0 110.287 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.14 -32.78 64.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.34 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.26 -49.72 72.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.65 0.262 . . . . 0.0 111.379 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -74.91 -32.21 61.74 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.0 tt -59.59 -47.22 86.41 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.167 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.17 -44.21 87.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.96 -41.61 95.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 39' ' ' ILE . 73.4 t -63.85 -34.54 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.08 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.1 mt -59.28 -41.38 88.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.513 0.197 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.8 -32.88 72.92 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.627 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.26 -37.37 77.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.942 0.401 . . . . 0.0 110.015 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.5 mm -63.55 -48.78 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.336 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.24 -35.91 72.41 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.177 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.2 -45.13 89.63 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.414 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -36.45 78.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.323 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.5 mt -62.32 -48.01 90.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.632 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -63.94 -45.56 88.66 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.73 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.007 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.0 -43.94 41.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -68.41 -32.32 72.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.54 -35.24 72.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -70.19 -32.45 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.363 0.601 . . . . 0.0 109.77 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.73 -30.49 64.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 178.525 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.93 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.132 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.32 83.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.631 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.93 -29.36 66.49 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -64.39 -47.84 80.19 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.21 -37.8 86.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.474 0.178 . . . . 0.0 111.431 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -42.8 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.593 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -61.31 -40.08 92.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 0.0 110.169 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 65' ' ' GLY . 91.9 t -67.82 -40.43 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.03 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.87 -46.51 78.18 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.358 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.99 -38.6 91.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 77.9 t80 -68.86 -40.51 79.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.36 . . . . 0.0 110.577 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 21.1 tp60 -60.43 -45.81 92.3 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.2 -32.39 73.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.135 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 72' ' ' PHE . 69.3 t80 -59.44 -48.09 82.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.814 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -65.59 -37.26 86.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.75 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 46.6 mt-10 -61.14 -34.2 74.62 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.46 82.33 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.709 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.29 -43.77 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.096 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -64.23 -34.61 78.5 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -82.2 -2.89 53.77 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.376 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.78 20.42 79.77 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.594 -0.812 . . . . 0.0 113.567 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -92.97 97.6 10.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.991 0.424 . . . . 0.0 110.618 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -78.07 -28.68 48.89 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.463 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.32 -50.87 72.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.231 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 p -64.11 -28.94 70.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.119 -177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 65.4 mt -59.33 -47.88 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.657 0.265 . . . . 0.0 111.675 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.86 -44.38 73.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.94 0.4 . . . . 0.0 111.038 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.04 -30.98 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.5 mt -63.62 -43.57 96.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.88 -42.53 97.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.97 -42.32 99.8 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.869 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.16 -44.68 96.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.96 -37.73 88.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.528 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.7 mt-30 -67.95 -43.92 77.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.363 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.84 -47.51 86.02 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -62.01 -37.56 85.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.048 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 97.2 mttt -68.62 -44.29 74.56 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.637 0.256 . . . . 0.0 111.178 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.98 -46.72 96.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.496 ' HD2' HG23 ' A' ' 14' ' ' VAL . 8.9 mtp180 -59.08 -41.05 87.07 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.464 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.27 -46.53 89.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.907 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.92 -42.21 85.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.72 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.32 0.581 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.09 -46.01 25.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -67.67 -37.2 82.02 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.364 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 21.8 tm0? -61.77 -47.44 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.25 -23.39 67.04 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.201 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.95 -48.87 10.67 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -57.18 -40.62 77.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.449 0.3 . . . . 0.0 110.608 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 13.8 mm-40 -61.95 -43.9 97.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.037 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.8 t -62.46 -43.74 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.299 0.571 . . . . 0.0 109.845 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.74 -45.55 85.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.449 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.14 82.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.16 -39.46 94.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.065 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -64.68 -43.95 91.9 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.403 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 76.7 ttt180 -62.63 -35.96 81.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.818 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.89 -40.96 97.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.257 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -65.66 -40.61 92.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 36.4 mt-10 -61.98 -52.48 63.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.47 -35.98 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.48 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.7 -47.97 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.708 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -64.56 -21.23 66.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.394 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 74.8 mmtt -88.66 -9.59 51.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.035 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 28.43 57.06 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.405 -0.426 . . . . 0.0 113.419 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -95.72 90.43 5.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.334 0.567 . . . . 0.0 111.604 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.15 -32.4 64.24 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -67.69 -48.27 67.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.742 0.306 . . . . 0.0 111.397 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -72.48 -30.34 64.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.917 0.389 . . . . 0.0 109.971 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.4 tp -60.05 -40.18 88.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.274 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.83 -40.1 87.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.3 0.571 . . . . 0.0 110.184 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -69.26 -45.32 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.056 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.3 -35.12 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 111.033 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -60.85 -33.9 73.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.721 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.27 -38.31 75.05 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 7.6 mm-40 -62.58 -44.74 95.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.476 ' O ' HG13 ' A' ' 43' ' ' ILE . 81.1 mt -63.62 -47.93 89.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.087 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.06 -37.36 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.633 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.32 -44.96 86.14 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.261 0.553 . . . . 0.0 110.248 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.2 mt -69.76 -36.6 75.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.754 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.6 mt -61.46 -47.65 92.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.579 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.572 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 83.3 mm-40 -65.47 -45.76 82.46 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.49 -34.45 75.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -76.6 -43.95 36.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.163 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -66.72 -30.93 71.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.273 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.8 mt-30 -57.65 -37.4 73.3 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.699 0.285 . . . . 0.0 110.839 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.47 -33.64 76.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.23 0.538 . . . . 0.0 110.233 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -75.32 -34.25 61.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.515 -179.516 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.233 0.23 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.05 83.76 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.056 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.79 -35.23 78.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.403 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.467 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.19 -41.01 86.57 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.01 -40.3 98.29 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -44.57 94.86 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.726 0.298 . . . . 0.0 110.451 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.45 -39.84 95.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.2 -38.16 82.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.985 0.421 . . . . 0.0 110.242 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 93.3 t -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.455 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.84 -39.76 83.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.336 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.3 -39.86 94.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.825 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -63.2 -39.15 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.325 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.33 -42.26 98.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.189 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -68.23 -35.16 77.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.144 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.2 -48.09 81.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.616 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -58.75 -39.43 80.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.28 -36.23 82.44 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.145 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.49 -31.36 69.59 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.592 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.61 -37.58 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.71 -32.48 72.32 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.726 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.46 -11.58 58.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.787 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.34 26.2 73.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.051 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -93.17 100.26 12.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.052 0.453 . . . . 0.0 110.218 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -69.44 -31.54 69.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -175.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.8 m-20 -64.82 -51.13 63.76 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.192 -176.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 p -65.72 -31.53 72.57 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.82 -48.04 83.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.277 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 85' ' ' ASP . 76.4 mm-40 -68.35 -45.24 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.945 0.402 . . . . 0.0 111.196 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.27 -37.43 77.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.17 -42.83 99.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.56 -42.53 98.33 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.209 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.98 -40.18 94.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.187 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.1 mt -60.78 -45.59 93.78 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.51 -44.98 95.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.549 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tt0 -68.18 -42.91 79.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.896 0.379 . . . . 0.0 111.091 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.7 -41.1 84.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.134 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.32 -46.91 88.31 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.336 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.86 -35.65 80.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.319 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 65.5 mttm -71.47 -40.62 70.16 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.177 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 97' ' ' ALA . 96.3 mt -61.55 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -58.21 -37.14 74.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.957 0.408 . . . . 0.0 111.056 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.1 -46.11 78.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.808 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.63 -42.44 61.44 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.714 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.58 -51.13 39.33 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.139 172.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -63.59 -44.1 95.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -60.78 -43.52 97.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p -68.65 -20.18 64.44 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.417 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -72.84 -44.39 38.12 Favored Glycine 0 N--CA 1.438 -1.218 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.539 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 6.8 m-20 -57.13 -42.71 81.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.077 -0.561 . . . . 0.0 110.857 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.03 -43.56 98.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.13 -41.33 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 96.6 t -63.05 -44.34 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.26 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 95.7 mt-30 -57.5 -44.57 85.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.414 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.31 81.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.797 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.72 -39.16 90.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.476 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 95.9 mt-30 -64.02 -37.22 86.64 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.175 0.512 . . . . 0.0 109.783 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -69.34 -36.02 76.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.382 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.31 -43.57 98.52 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.971 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.4 mmm180 -63.49 -46.71 84.9 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.769 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.05 -52.53 64.55 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.851 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 28' ' ' ASP . 77.2 mt -60.99 -36.51 72.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.058 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -68.79 -47.93 64.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 109.839 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.08 -23.66 66.64 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.462 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -90.37 1.73 56.29 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.873 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.63 56.62 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 114.367 0.507 . . . . 0.0 114.367 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.464 ' HB3' HG21 ' A' ' 23' ' ' ILE . 9.9 t0 -91.14 83.19 5.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.482 0.641 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.76 -34.67 67.8 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.404 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.07 -49.52 69.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.5 t -74.39 -30.4 61.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.871 0.367 . . . . 0.0 110.342 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.689 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -60.26 -42.43 95.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.563 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' HA ' HD11 ' A' ' 36' ' ' LEU . 44.7 mt-10 -62.72 -40.78 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.308 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.3 -41.0 98.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.382 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG22 HD12 ' A' ' 23' ' ' ILE . 80.1 t -70.09 -33.21 54.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.403 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.0 mt -59.02 -40.42 84.93 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.9 tt0 -65.57 -38.93 90.97 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.945 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.5 -41.84 99.09 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 43' ' ' ILE . 77.4 mt -63.37 -47.83 90.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.372 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.87 -41.21 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.65 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 49.1 mt-10 -63.3 -44.22 95.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.665 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.26 -36.21 83.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.356 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 39' ' ' ILE . 83.0 mt -62.22 -47.26 93.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.127 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -64.93 -45.66 84.88 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.174 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.49 -33.89 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.808 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -76.23 -43.0 44.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.063 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -68.04 -37.11 80.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.668 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.87 -31.87 68.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.3 -32.46 70.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -77.71 -31.16 52.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.703 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.063 -178.541 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.808 0.337 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.91 97.53 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.358 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 110.771 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -64.68 -45.28 87.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.49 -28.97 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.012 0.434 . . . . 0.0 110.424 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -64.93 -46.88 88.03 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -65.34 -36.32 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.442 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.6 -41.3 98.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.723 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.56 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.949 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.608 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 71.9 t -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.395 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.443 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 64.8 tt0 -66.44 -43.99 84.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.569 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.15 -37.01 81.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.9 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.79 -37.05 83.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.19 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.608 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.7 mt-30 -59.57 -43.55 93.59 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 70' ' ' GLN . 10.1 mpt_? -65.81 -39.87 91.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.126 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.34 -48.28 82.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.841 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -61.5 -43.28 99.15 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.26 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.14 -38.54 91.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.86 87.87 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.06 -41.95 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.596 0.236 . . . . 0.0 111.086 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.52 -32.66 74.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.942 0.401 . . . . 0.0 110.696 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -84.46 -0.41 52.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.869 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.61 15.45 70.91 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.138 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.596 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 16.1 t0 -83.47 94.28 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.219 0.533 . . . . 0.0 110.558 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -31.46 57.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.334 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.474 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -67.43 -30.68 70.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.477 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 78.6 mt -59.08 -46.69 87.64 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.459 -176.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.12 -46.24 85.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 110.731 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 11.3 mm100 -68.69 -46.84 67.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.491 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.76 -32.56 72.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -67.69 -40.9 84.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.792 0.33 . . . . 0.0 110.454 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 56.9 mm-40 -64.14 -38.15 90.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 68.0 mm-40 -62.06 -41.23 97.92 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.09 -46.55 86.87 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.714 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 31.6 tt0 -61.47 -46.82 88.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.354 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 97.0 mt-30 -63.67 -38.99 93.2 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.88 0.371 . . . . 0.0 111.153 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.69 76.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.247 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.77 -41.76 98.12 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.06 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.714 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.6 mm-40 -60.66 -41.55 95.23 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 74.3 mmtt -67.27 -44.41 79.41 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.648 0.261 . . . . 0.0 111.309 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.76 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -59.09 -43.25 91.81 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.877 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 21.1 mm-40 -60.14 -43.12 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.233 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.28 -40.11 71.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.571 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 120.879 0.371 . . . . 0.0 111.424 -178.877 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--O 1.235 0.311 0 CA-C-O 121.231 0.538 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.6 -44.63 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -68.48 -34.63 76.27 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.316 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 34.7 tt0 -65.74 -35.77 81.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.764 0.316 . . . . 0.0 110.645 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.5 p -85.19 -19.78 31.19 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.21 0.529 . . . . 0.0 109.949 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.37 -44.71 10.75 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -55.07 -46.63 75.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 122.55 0.34 . . . . 0.0 110.816 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 42.1 mm-40 -61.82 -44.99 95.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.422 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.25 -48.25 82.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.265 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.57 -48.31 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.58 -46.46 86.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.04 -36.06 77.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.63 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 84.8 t80 -66.13 -39.85 90.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.07 0.462 . . . . 0.0 110.322 178.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -64.2 -43.77 94.0 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 23' ' ' ILE . 31.5 tpt180 -64.08 -34.74 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.008 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 50.9 tp -59.13 -39.08 81.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.85 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.1 ttp180 -67.84 -35.89 79.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.307 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.52 -30.17 70.89 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.223 0.535 . . . . 0.0 110.414 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 19' ' ' ARG . 79.0 mt -75.91 -34.42 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -69.6 -37.23 76.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.784 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.06 -32.94 71.41 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.959 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -87.61 -7.44 57.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.928 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.2 29.37 68.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.601 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -85.3 80.41 9.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.162 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 m-20 -56.3 -28.73 59.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.799 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.48 -50.37 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.03 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -75.23 -32.25 61.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -59.91 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.479 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 45.2 mt-10 -57.29 -46.25 83.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.79 0.329 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -67.01 -41.61 86.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.133 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.3 t -71.42 -36.24 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.4 mt -59.53 -38.86 82.13 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.527 0.203 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.4 mt-10 -64.68 -44.73 89.39 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.571 177.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 14.3 tp10 -62.2 -41.76 98.66 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.59 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 35' ' ' VAL . 41.3 mm -60.06 -49.18 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.5 tt0 -58.12 -39.33 78.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 46.4 mt-10 -70.4 -35.14 73.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.5 mt -65.25 -36.97 85.77 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.7 mt -60.86 -43.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.297 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 73.9 mm-40 -64.51 -44.45 90.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 89.3 mttt -62.16 -39.0 91.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -76.39 -44.6 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -63.0 -36.61 84.12 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.95 -32.75 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.533 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.6 -33.1 64.44 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -72.07 -30.2 64.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.192 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.514 -0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 178.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 120.477 0.179 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.81 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.42 96.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.488 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.99 -33.53 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.797 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -63.94 -39.99 95.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -61.74 -43.49 99.17 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.95 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.7 -40.57 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.981 0.42 . . . . 0.0 110.775 176.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.63 -37.64 82.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.693 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -62.54 -39.18 92.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 65' ' ' GLY . 73.6 t -65.29 -38.58 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.42 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -65.37 -45.17 85.17 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.082 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.87 91.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.389 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.4 -43.07 95.6 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.779 0.323 . . . . 0.0 110.221 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -64.85 -35.59 81.61 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -40.97 91.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.45 -47.84 80.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.171 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -63.57 -40.36 96.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.272 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 7.8 tp10 -63.15 -34.38 77.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.536 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.21 96.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.946 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 mm -60.39 -41.45 87.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 110.349 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.52 -37.14 86.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 67.0 mttm -83.4 -7.45 59.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.797 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.8 25.38 75.23 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.605 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.42 96.46 10.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 -176.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -72.51 -32.16 65.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -58.82 -48.4 81.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.208 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.1 m -69.14 -29.81 67.92 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 91.7 mt -59.68 -48.21 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -175.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.05 -46.66 87.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 111.273 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.03 -46.19 65.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.943 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.32 -34.41 76.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.761 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.36 -41.88 97.79 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 109.841 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -44.93 91.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.836 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.83 -36.87 82.44 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.914 0.388 . . . . 0.0 110.738 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.57 -45.21 95.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.873 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 30.2 mt-10 -61.83 -46.2 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -67.92 -35.78 79.03 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.489 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -68.63 -43.18 76.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.004 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.18 -45.0 96.39 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.367 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 93.0 mt-30 -60.45 -39.36 87.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.959 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.09 -40.04 71.78 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 97' ' ' ALA . 92.6 mt -59.77 -47.79 90.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.912 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -58.98 -45.0 91.67 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.75 -44.92 92.07 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.556 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.29 -43.32 95.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -177.293 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.404 HD21 HD12 ' A' ' 49' ' ' LEU . 3.6 mm? -49.17 -53.71 19.79 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -63.02 -45.63 91.44 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.119 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 12.8 mm100 -60.8 -46.5 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.3 p -65.35 -26.36 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -70.67 -52.19 16.81 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 26.9 m-20 -55.4 -44.9 76.59 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.021 176.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 37.8 mt-10 -61.68 -41.5 97.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.545 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.85 -42.73 98.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 10' ' ' GLY . 73.0 t -61.31 -44.24 98.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.286 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -57.28 -45.59 83.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.32 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.21 82.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.36 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 91.5 t80 -65.36 -43.77 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.301 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.19 -41.38 94.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.048 0.451 . . . . 0.0 109.787 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' HG12 ' A' ' 23' ' ' ILE . 52.5 ttt180 -63.14 -35.21 79.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.884 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD22 ' CE2' ' A' ' 75' ' ' PHE . 47.6 tp -59.68 -41.08 89.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.304 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -67.04 -36.74 82.74 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.932 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 50.9 mt-10 -68.46 -30.06 68.84 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.686 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 19' ' ' ARG . 40.4 mm -73.81 -34.83 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -69.99 -37.65 75.79 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.824 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.509 ' OD2' ' HA ' ' A' ' 22' ' ' GLU . 69.3 m-20 -61.4 -32.66 72.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.299 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 71.9 mmtt -89.01 -5.29 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.418 -175.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.94 65.87 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.825 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.27 103.1 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.463 0.649 . . . . 0.0 109.67 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.8 -42.41 60.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.446 -172.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.78 -34.98 72.36 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.566 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -70.04 -29.85 66.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.367 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.04 -41.48 83.31 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.556 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.08 -38.85 90.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.094 0.473 . . . . 0.0 110.065 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.71 -41.19 68.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.954 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.497 HG23 HG13 ' A' ' 23' ' ' ILE . 72.0 t -72.14 -45.56 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 55.0 mt -61.0 -35.94 78.16 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.435 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.4 tt0 -64.39 -45.27 88.41 Favored 'General case' 0 N--CA 1.428 -1.532 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.028 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.95 -37.41 87.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.961 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 35' ' ' VAL . 78.2 mt -63.54 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.542 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.2 mt-10 -57.21 -37.92 72.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.338 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 45.4 mt-10 -63.19 -45.59 91.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.066 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.09 -38.6 79.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.987 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.6 mt -63.35 -46.97 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.42 -44.16 88.24 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 98.5 mttt -61.02 -34.73 75.3 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -76.81 -41.22 45.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.864 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -69.59 -36.53 76.33 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.389 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -58.46 -30.43 66.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.834 0.35 . . . . 0.0 111.317 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.404 HD12 HD21 ' A' ' 6' ' ' LEU . 59.3 mt -63.48 -33.27 75.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.485 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.89 -30.63 40.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.678 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.47 0.552 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.782 177.825 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 41.5 tt0 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.792 0.33 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.39 -37.38 83.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.27 66.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.733 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.08 -42.62 80.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.7 mm100 -65.68 -42.8 90.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.938 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -62.59 -35.53 91.96 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.663 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.61 -42.62 97.16 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.979 0.418 . . . . 0.0 110.635 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.556 ' O ' HD11 ' A' ' 71' ' ' LEU . 65.7 mt-30 -62.45 -43.13 99.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.082 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -61.25 -38.09 85.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.62 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -65.46 -40.32 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.512 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.04 -37.08 80.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.187 0.517 . . . . 0.0 110.565 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.556 HD11 ' O ' ' A' ' 67' ' ' GLN . 7.6 mp -69.08 -42.67 75.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -67.05 -40.2 87.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.603 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 6.3 tp-100 -63.76 -36.83 85.17 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -63.91 -39.31 93.88 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.184 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.51 ' CE2' HD12 ' A' ' 79' ' ' ILE . 86.6 t80 -60.17 -45.15 94.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.822 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -58.69 -44.65 90.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 40.8 mt-10 -62.73 -35.65 80.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.088 0.47 . . . . 0.0 110.145 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.89 69.81 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.481 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.51 HD12 ' CE2' ' A' ' 75' ' ' PHE . 59.7 mt -74.11 -41.09 51.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.409 0.623 . . . . 0.0 109.418 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.96 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.578 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -89.63 -1.64 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.71 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.25 26.7 74.06 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.408 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.617 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.6 t70 -93.05 97.2 10.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.123 0.487 . . . . 0.0 110.04 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.15 -27.99 59.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.031 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.98 -50.36 73.71 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.116 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.2 m -67.52 -30.61 70.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.566 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 84.7 mt -59.18 -47.42 85.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.547 0.213 . . . . 0.0 111.204 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -64.82 -36.97 86.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -67.72 -45.5 74.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.12 -31.36 70.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.463 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 57.6 mt -65.27 -38.54 90.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.889 0.376 . . . . 0.0 110.028 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.49 -47.03 85.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.919 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.477 ' OE1' ' HG ' ' A' ' 71' ' ' LEU . 8.5 pt-20 -72.92 -33.63 66.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.759 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.21 -47.23 77.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.716 0.293 . . . . 0.0 110.775 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.56 -46.06 91.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.582 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.04 -39.5 90.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.82 0.343 . . . . 0.0 111.256 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.75 -45.22 68.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.72 -45.37 94.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.19 -40.65 94.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.14 -41.13 82.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.533 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 97' ' ' ALA . 97.1 mt -61.93 -46.8 95.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.07 -40.34 89.18 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.516 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.68 -42.97 98.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.46 -44.14 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.957 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -175.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm . . . . . 0 C--O 1.235 0.324 0 CA-C-O 121.253 0.549 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.55 -54.44 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.857 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -63.91 -39.73 94.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.733 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 63.3 mm-40 -60.03 -46.39 89.67 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.942 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -65.66 -29.0 69.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 111.486 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -71.43 -51.76 15.61 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 24.1 m-20 -58.5 -42.43 87.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.197 . . . . 0.0 111.393 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 59.3 mm-40 -61.55 -40.43 94.68 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.989 0.423 . . . . 0.0 109.96 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.18 -43.48 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.648 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 10' ' ' GLY . 81.3 t -60.17 -43.27 92.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.377 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 73.7 mt-30 -58.11 -45.66 86.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.343 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.17 93.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.848 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.25 -41.53 99.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.62 -32.93 73.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -70.4 -35.52 73.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.8 -45.88 90.94 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.307 -177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.529 ' HG2' ' OD2' ' A' ' 25' ' ' ASP . 60.1 ttt180 -66.59 -39.47 88.43 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 119.831 -0.747 . . . . 0.0 111.83 -178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.2 -50.86 71.42 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -55.66 -36.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -67.91 -47.44 68.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.788 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.529 ' OD2' ' HG2' ' A' ' 21' ' ' ARG . 63.6 m-20 -62.82 -22.1 66.39 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.44 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -93.69 -1.66 54.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.017 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.32 27.96 58.54 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 113.938 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.54 81.06 3.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.616 0.722 . . . . 0.0 111.569 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.83 -26.79 59.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.726 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 13.2 m-20 -64.68 -49.56 70.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.723 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 t -75.63 -31.59 59.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.87 0.367 . . . . 0.0 110.421 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.577 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.5 tp -60.03 -46.64 88.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.611 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 15.6 pt-20 -60.21 -40.25 89.46 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.023 0.439 . . . . 0.0 110.802 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -65.45 -40.98 93.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.439 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 39' ' ' ILE . 65.7 t -67.79 -33.73 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.97 -37.4 79.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.383 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.3 -37.04 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.924 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 28.7 mm-40 -66.82 -45.32 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.023 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.501 ' O ' HG13 ' A' ' 43' ' ' ILE . 68.7 mt -61.79 -48.32 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.6 mt-10 -60.98 -36.72 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.671 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.81 -39.09 87.6 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.984 0.421 . . . . 0.0 110.658 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 99.2 mt -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.355 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.9 mt -61.57 -44.58 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.265 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 13.8 mm100 -62.56 -47.17 85.04 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.214 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.0 -35.19 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.211 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -75.94 -43.72 43.5 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.044 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -65.83 -36.29 83.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.771 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 15.1 mm100 -58.36 -30.65 66.92 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.63 -29.65 66.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.079 0.466 . . . . 0.0 110.254 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.45 -29.84 52.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.833 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.704 0.288 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.8 -37.67 76.37 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.332 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 88.2 tttt -70.06 -39.18 75.83 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.096 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -65.65 -39.89 91.88 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -62.49 -34.69 90.18 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.997 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.69 -40.52 97.38 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.139 0.495 . . . . 0.0 109.723 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.634 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 mm-40 -65.34 -42.11 93.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.261 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.38 -38.22 83.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.093 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 65' ' ' GLY . 92.9 t -67.17 -37.9 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.592 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.12 -43.18 78.97 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.476 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 69.8 mt -60.99 -40.14 92.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.716 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.78 -38.33 86.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.79 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 56.1 mt-30 -66.36 -35.88 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.022 0.439 . . . . 0.0 110.131 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.44 -38.17 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.597 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.83 -49.22 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.36 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' HD13 ' A' ' 36' ' ' LEU . 28.0 ttt180 -65.98 -35.88 81.78 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.085 177.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.54 -37.19 82.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.34 88.15 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.898 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.1 -42.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 120.612 0.244 . . . . 0.0 110.904 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -64.0 -35.86 82.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.1 3.14 52.8 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.437 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.25 13.36 70.29 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 121.104 -0.57 . . . . 0.0 114.146 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -80.67 96.36 6.87 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.052 0.453 . . . . 0.0 110.419 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -74.58 -34.84 62.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.03 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.27 -48.4 78.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.875 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -65.91 -29.63 70.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.898 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.8 mt -59.34 -47.46 85.32 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.454 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.22 -46.37 85.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 111.401 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.59 -45.42 75.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.52 -33.46 74.17 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.419 HD23 ' HG3' ' A' ' 21' ' ' ARG . 54.6 tp -62.85 -44.79 95.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.11 -38.6 91.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.36 -38.39 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.988 0.423 . . . . 0.0 110.124 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.64 -43.58 98.58 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 11.5 tp10 -60.53 -45.05 95.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.925 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.68 -42.89 97.96 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 111.206 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.77 -39.08 73.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.036 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.77 -47.06 86.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.857 0.36 . . . . 0.0 110.286 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 84.6 mm-40 -62.51 -32.92 73.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.504 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -70.73 -43.06 69.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.203 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 97' ' ' ALA . 93.3 mt -60.63 -44.64 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.469 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.23 -44.07 83.47 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.223 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.0 -47.18 78.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.453 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.45 -42.68 82.7 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.257 0.551 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.98 -45.51 20.16 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -67.18 -40.59 86.57 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.641 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.08 -47.4 84.85 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.928 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 46' ' ' HIS . 18.5 p -65.5 -21.08 66.59 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.019 0.438 . . . . 0.0 111.456 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.04 -48.72 8.14 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -56.42 -41.46 76.43 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 122.595 0.358 . . . . 0.0 110.417 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.71 -47.5 85.98 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.333 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.72 -45.77 92.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.67 -48.36 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.198 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.81 -38.76 79.33 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 111.639 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.32 72.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.839 0.352 . . . . 0.0 110.74 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -67.23 -43.45 81.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.52 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.17 -38.33 90.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 109.935 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -69.35 -34.91 75.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.267 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.12 -41.15 92.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.179 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' HD23 ' A' ' 91' ' ' LEU . 67.8 ttt180 -68.34 -40.18 81.65 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.32 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 32.5 mm-40 -60.82 -50.7 72.39 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.91 -33.91 51.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.09 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.28 -47.69 67.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.618 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.5 -23.66 66.95 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.767 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 68.9 mttm -83.42 -4.75 58.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.33 28.17 64.15 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 114.34 0.496 . . . . 0.0 114.34 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.04 85.09 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.477 0.639 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -56.1 -30.96 62.8 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.649 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -66.25 -49.93 65.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.3 t -73.77 -35.27 64.95 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.16 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.83 -43.44 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.958 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.45 -43.8 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.19 -37.1 83.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 31' ' ' SER . 64.1 t -70.24 -34.25 57.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.459 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 94.3 mt -60.63 -36.53 78.86 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.17 -41.99 96.89 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.259 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.1 mm-40 -64.09 -44.68 91.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 43' ' ' ILE . 38.7 mm -61.97 -49.27 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.098 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 44.7 mt-10 -57.81 -41.24 81.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.879 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -41.12 75.66 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.097 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.4 mt -65.11 -35.75 82.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.773 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.9 mt -62.48 -46.73 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 71.5 mm-40 -62.78 -46.39 88.22 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.616 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.121 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 9' ' ' THR . 83.4 t60 -76.84 -42.48 40.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -65.68 -35.82 81.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.203 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 99.3 mt-30 -58.14 -34.73 70.58 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.096 0.474 . . . . 0.0 111.379 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.47 -32.72 73.76 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.26 0.552 . . . . 0.0 110.061 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -74.49 -30.53 61.87 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.38 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD2' ' HA ' ' A' ' 48' ' ' GLN . 38.4 m-20 . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 121.221 0.534 . . . . 0.0 110.075 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 32.9 tt0 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.12 99.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -38.45 88.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.08 97.49 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.554 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.3 mt-30 -67.41 -35.3 79.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.49 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -60.78 -47.36 91.61 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.862 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.24 -43.3 92.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.022 0.439 . . . . 0.0 110.53 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.73 -42.9 99.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.633 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.94 -39.38 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 92.2 t -65.75 -43.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.805 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 46.8 mt-30 -63.5 -42.75 98.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.85 -39.75 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.38 -39.04 85.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 97.0 mt-30 -59.71 -44.68 93.61 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -63.88 -39.18 93.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.077 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.99 -48.88 72.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -61.09 -46.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.899 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.8 tt0 -61.02 -35.76 77.72 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.58 69.05 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.851 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.3 mt -73.4 -38.87 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -66.43 -35.51 80.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 34.8 mmtp -85.12 -5.25 59.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.672 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.22 25.32 74.63 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.196 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.611 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -90.29 98.74 11.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.901 0.382 . . . . 0.0 110.408 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -74.91 -25.7 59.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.319 -176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.53 -49.63 74.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 m -67.12 -33.3 75.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.023 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 90.2 mt -61.95 -48.4 80.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.18 -48.07 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.751 0.31 . . . . 0.0 111.828 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.07 -43.99 73.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.89 -35.59 78.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.407 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.413 HD23 ' HG3' ' A' ' 21' ' ' ARG . 51.1 tp -61.61 -45.15 95.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 110.621 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.09 -38.74 86.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.5 -36.21 76.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.134 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.12 -44.53 95.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.196 0.522 . . . . 0.0 109.942 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 5.2 tm-20 -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.191 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tp60 -69.86 -38.55 76.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.133 0.492 . . . . 0.0 110.598 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.43 -32.24 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.216 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 tt -68.64 -39.51 80.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.9 mm-40 -63.0 -30.13 71.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.274 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 99.3 mttt -71.92 -44.21 64.04 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 110.471 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.72 -44.98 85.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.412 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -59.26 -38.15 79.35 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.251 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.44 -46.3 90.54 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.347 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.9 mt -67.43 -38.29 84.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.787 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.008 0.432 . . . . 0.0 111.304 -179.009 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -47.75 -45.38 29.0 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.515 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -67.24 -44.57 79.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.703 0.287 . . . . 0.0 111.361 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 98.7 mt-30 -64.35 -30.21 71.26 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -83.25 -17.94 40.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.88 -41.35 12.66 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.22 -40.49 81.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.493 -0.354 . . . . 0.0 110.739 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 11.5 mm-40 -63.4 -46.94 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.349 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.26 -42.61 98.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.054 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.97 -46.48 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.578 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -58.01 -45.34 87.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.589 178.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.28 -36.22 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.527 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 83.4 t80 -64.49 -39.03 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.093 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.243 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 34.6 mmt180 -64.31 -34.14 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.831 177.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 35.8 tp -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.015 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 4.8 mmm180 -66.0 -44.97 83.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.04 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 8.1 mm-40 -60.09 -53.54 56.54 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -175.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 28' ' ' ASP . 90.4 mt -61.34 -37.36 77.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.395 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -70.26 -48.33 57.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.892 0.377 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -62.06 -24.96 67.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.183 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 56.8 mttm -91.36 4.48 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.389 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.26 28.61 61.89 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 114.648 0.619 . . . . 0.0 114.648 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.486 ' HB3' HG23 ' A' ' 23' ' ' ILE . 16.6 t0 -87.43 82.23 7.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.602 0.701 . . . . 0.0 110.185 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.84 -34.29 65.28 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.57 -48.39 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.69 0.281 . . . . 0.0 111.597 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -74.03 -31.32 62.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.037 0.446 . . . . 0.0 110.23 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.6 tp -60.63 -42.49 97.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.049 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.99 -40.97 86.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.071 0.462 . . . . 0.0 110.472 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.63 -45.07 95.42 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.116 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.556 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.2 t -68.03 -36.9 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.577 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.4 mt -60.03 -40.61 89.94 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 110.633 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -66.58 -38.52 87.24 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.443 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.0 tt0 -67.33 -39.32 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.185 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.562 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.8 mm -59.17 -47.41 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 44.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.343 178.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.45 -36.53 73.99 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 90.8 mt -68.09 -36.36 79.66 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.221 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -60.7 -42.49 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.652 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 94.1 mt-30 -62.99 -47.6 82.46 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -64.01 -35.21 79.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 111.753 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.73 -44.21 34.22 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.413 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -70.54 -39.95 73.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 73.9 mm-40 -59.87 -32.39 70.67 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.6 -30.29 71.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.347 0.594 . . . . 0.0 110.133 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -78.93 -33.98 44.96 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.33 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 N--CA 1.467 0.425 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -176.351 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 C--O 1.239 0.524 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.61 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.83 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.46 -45.23 94.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.77 -30.14 70.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.423 . . . . 0.0 110.456 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -65.48 -48.4 68.87 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.0 -39.93 95.23 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -38.84 90.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.005 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -64.34 -39.25 93.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.028 0.442 . . . . 0.0 110.103 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 65' ' ' GLY . 86.9 t -67.88 -38.95 80.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.091 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.23 -43.8 90.29 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.638 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -39.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.537 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.9 -42.09 98.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.32 -38.31 86.39 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.142 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -70.22 -41.25 73.84 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -61.46 -49.04 78.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.93 95.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.506 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.62 -34.52 78.02 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.086 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 -32.51 74.15 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.615 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -71.71 -36.41 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -67.32 -36.8 82.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.563 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.25 -5.86 59.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.342 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.69 27.53 73.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.879 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.503 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -91.25 96.83 10.77 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 109.988 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.37 -29.77 62.85 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.375 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.33 -50.08 74.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.26 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.6 p -68.86 -30.4 68.91 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.3 mt -59.77 -48.83 80.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -176.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -45.91 89.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -67.23 -45.95 75.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.785 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.17 -36.82 77.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.712 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.31 -45.01 95.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.454 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 51.0 mm-40 -62.27 -40.53 96.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 110.059 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.87 -38.41 91.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.36 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.78 -46.17 91.54 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.8 -43.43 98.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.587 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 75.5 mm-40 -68.11 -40.59 82.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -177.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.07 -39.69 75.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.233 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.7 -46.64 88.81 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.12 0.486 . . . . 0.0 110.04 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.82 -33.49 74.23 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.483 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.5 mmtt -71.94 -41.4 67.86 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 97' ' ' ALA . 88.5 mt -60.53 -45.16 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.647 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -65.17 -30.99 71.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -73.32 -30.23 63.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.08 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 84.8 mt -74.37 -25.86 59.76 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.25 0.547 . . . . 0.0 109.619 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.979 175.48 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 111.378 0.14 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.65 -42.53 67.95 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 120.201 -0.599 . . . . 0.0 112.078 176.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -62.66 -46.31 88.8 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.991 0.424 . . . . 0.0 110.58 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 55.5 tp60 -61.14 -47.68 85.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.578 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -65.41 -26.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.859 0.361 . . . . 0.0 111.386 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.471 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -73.28 -52.23 8.99 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.26 -39.74 83.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.55 0.214 . . . . 0.0 111.353 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.5 mt-10 -62.14 -42.21 99.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 110.082 176.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.596 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 10' ' ' GLY . 73.3 t -60.55 -46.33 95.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 110.185 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.66 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 72.9 mm-40 -57.82 -46.8 84.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.211 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.73 81.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.755 0.312 . . . . 0.0 111.04 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.29 -40.05 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 0.0 109.882 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.88 -41.87 98.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.732 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 16.5 mmt180 -66.63 -34.84 78.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.205 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.39 -39.4 93.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.977 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -63.99 -43.26 96.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.355 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 36.2 mt-10 -60.94 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.126 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 19' ' ' ARG . 50.9 mm -56.91 -36.3 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -68.0 -47.54 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.774 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.77 -25.31 66.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 64.7 mttm -91.42 0.42 57.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.22 28.94 55.5 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 116.329 -0.396 . . . . 0.0 113.955 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -90.47 87.24 6.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 117.392 0.596 . . . . 0.0 110.885 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.39 -31.75 62.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.399 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.29 -49.5 60.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.975 0.417 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -75.09 -32.66 61.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.054 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 27.1 tp -60.5 -42.07 95.59 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.822 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.3 -40.19 81.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.736 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.86 -44.71 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.2 -35.16 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.294 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 9.6 tp -61.57 -36.91 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.898 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.4 -40.24 81.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 6.3 tp10 -63.18 -42.71 99.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.527 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.532 ' O ' HG12 ' A' ' 43' ' ' ILE . 63.5 mt -65.44 -46.96 88.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.645 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.12 -42.38 80.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.694 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.61 -34.31 75.54 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.055 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 79.4 mt -65.26 -34.29 78.01 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 39' ' ' ILE . 46.5 mm -60.48 -46.62 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.779 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -62.97 -43.02 99.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.51 -36.01 82.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.338 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.07 -43.4 29.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 109.637 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -60.33 -43.82 96.06 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.016 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -58.2 -43.53 87.65 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.4 mt -63.48 -28.51 70.01 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.846 0.355 . . . . 0.0 111.67 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -78.56 -36.78 44.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 . . . . . 0 N--CA 1.47 0.561 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -175.737 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.38 96.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.43 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.6 94.44 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 27.7 mtpp -62.0 -44.11 97.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.22 -30.69 71.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.199 0.523 . . . . 0.0 109.812 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.421 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -63.53 -47.78 83.97 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.775 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -62.96 -39.15 93.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.773 0.32 . . . . 0.0 110.73 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 97.5 mt-30 -61.85 -43.61 98.5 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.629 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -65.04 -38.1 89.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.162 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.1 -42.48 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 64.6 tt0 -66.02 -43.64 87.02 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.116 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 mt -62.85 -41.28 99.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.555 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.14 -38.47 88.21 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 5.5 tp-100 -62.35 -44.11 97.24 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.626 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 29.5 mmm180 -63.86 -39.01 93.21 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.223 0.535 . . . . 0.0 109.988 176.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.27 -47.42 86.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.37 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -60.28 -44.15 95.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.677 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 39.1 mt-10 -62.29 -34.12 75.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.008 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.79 92.74 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.067 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.4 -35.63 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.934 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.01 -37.23 84.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.066 0.46 . . . . 0.0 109.807 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.72 -0.64 57.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.899 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.58 16.7 65.83 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.354 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -89.95 75.98 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.405 0.621 . . . . 0.0 111.733 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -57.34 -22.93 45.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.709 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.09 -44.43 96.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.033 0.444 . . . . 0.0 110.01 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 m -69.92 -31.59 69.44 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.29 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.29 -42.39 95.36 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.955 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.65 -47.44 84.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -70.23 -45.89 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.469 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 98.8 mt -65.92 -34.67 78.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.311 -178.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 26.6 tp -69.67 -38.74 77.17 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 32.8 tt0 -62.12 -44.45 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -63.61 -38.99 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.901 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 72.8 mt -63.96 -44.46 92.73 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 51.4 mt-10 -60.64 -45.32 94.53 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.992 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 47.5 mt-30 -67.92 -38.54 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.0 111.123 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.32 -40.94 77.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.089 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.0 -42.5 98.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.18 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.3 mm-40 -61.77 -37.8 85.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.269 178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.91 -44.82 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 97' ' ' ALA . 89.4 mt -61.36 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.345 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -58.68 -42.49 88.62 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.429 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -42.6 93.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.875 0.369 . . . . 0.0 111.025 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.68 -34.82 67.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.367 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.904 0.383 . . . . 0.0 111.237 -179.243 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt . . . . . 0 C--O 1.232 0.139 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.74 -54.08 32.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.834 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -64.57 -39.07 93.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.45 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.97 -45.78 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.91 -23.97 66.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.993 0.425 . . . . 0.0 111.245 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.43 -53.08 9.11 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.42 -33.85 71.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.92 -46.38 89.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.463 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.96 -41.11 95.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.587 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.3 t -63.35 -47.42 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.38 -44.96 84.89 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.5 81.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.559 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 71.7 t80 -69.4 -39.66 77.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.181 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.8 mt-30 -65.24 -34.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.355 0.598 . . . . 0.0 109.415 178.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 19' ' ' ARG . 17.5 tpt180 -69.4 -35.7 76.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.295 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 44.3 tp -61.67 -36.08 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.452 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -60.81 -47.19 87.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.232 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.03 -52.11 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.931 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 HG22 ' OG ' ' A' ' 31' ' ' SER . 49.1 mm -56.12 -39.03 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.17 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -69.63 -48.0 61.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.781 0.324 . . . . 0.0 110.65 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.15 -21.3 64.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.488 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -80.68 -4.94 56.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.486 0.184 . . . . 0.0 111.134 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.69 26.04 52.52 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.569 -0.348 . . . . 0.0 113.764 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.464 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 9.3 t0 -93.58 86.24 5.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.432 0.616 . . . . 0.0 110.607 -178.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' HA ' HD11 ' A' ' 32' ' ' LEU . 36.2 m-20 -58.43 -29.75 66.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.221 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -71.0 -42.53 69.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.903 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.464 ' OG ' ' HB3' ' A' ' 28' ' ' ASP . 94.0 p -73.25 -30.67 63.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.583 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 29' ' ' ASP . 20.8 mt -61.47 -40.64 95.26 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.772 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 12.3 tp10 -59.93 -41.53 92.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.655 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -70.41 -40.92 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.167 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.4 -37.87 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.423 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.97 -34.81 76.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.173 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 51.9 mt-10 -66.99 -38.54 86.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.236 0.541 . . . . 0.0 109.731 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 17.0 tp10 -65.04 -44.71 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.576 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.412 ' O ' HG13 ' A' ' 43' ' ' ILE . 71.0 mt -65.83 -48.28 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.327 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.26 -37.9 75.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.93 -35.43 76.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.874 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 85.5 mt -67.66 -36.04 79.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.734 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.4 mt -61.25 -43.97 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.87 -44.49 76.96 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.247 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.94 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 0.0 111.187 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -74.88 -44.13 50.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -71.41 -30.19 65.79 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.48 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.45 -37.74 76.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.23 0.538 . . . . 0.0 110.188 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.38 -37.47 71.59 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.968 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -69.65 -30.07 67.68 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 110.041 179.424 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 121.075 0.464 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.45 99.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.59 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.48 -44.23 94.98 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -63.51 -38.48 91.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.216 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -61.08 -41.97 99.64 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.888 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 3.5 m-20 -62.14 -41.0 97.83 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.293 0.547 . . . . 0.0 110.938 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.169 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.79 -38.77 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.124 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -66.27 -41.33 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.032 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 13.1 mm100 -66.44 -41.72 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.211 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.67 -39.37 94.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.52 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.413 ' N ' HD22 ' A' ' 94' ' ' LEU . 72.4 t80 -66.92 -38.6 86.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.524 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 26.9 mt-30 -64.32 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.8 mtt180 -63.66 -37.42 87.26 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -45.41 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.498 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -63.68 -41.88 98.1 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.53 -38.19 89.02 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.413 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.03 83.97 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.31 -44.45 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.76 0.314 . . . . 0.0 111.141 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.91 -36.8 83.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -86.61 -1.74 57.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.809 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 25.54 73.3 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.917 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.9 t70 -92.72 95.56 9.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.098 0.475 . . . . 0.0 109.773 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -74.75 -32.49 62.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.898 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.22 -41.22 92.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.935 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.8 m -72.33 -30.33 64.65 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.1 mt -59.68 -47.77 84.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.87 -46.73 84.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 38.8 tt0 -68.67 -47.56 66.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.738 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.31 -36.56 84.1 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.583 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.79 -41.49 83.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.974 0.416 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.43 -40.06 85.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.482 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 89' ' ' GLN . 42.9 mt-10 -67.04 -37.08 83.46 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.873 0.368 . . . . 0.0 110.102 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 72' ' ' PHE . 29.9 mt -63.8 -45.82 87.93 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.801 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.85 -43.78 98.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.474 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 tp60 -69.06 -37.33 78.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.83 83.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 109.666 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.15 -44.07 97.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.638 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.0 -31.1 71.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.444 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 96.9 mttt -72.2 -42.97 65.2 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.56 -47.56 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -60.91 -38.49 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.782 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.17 -46.37 90.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.85 -36.93 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.774 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.64 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.507 0.194 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -49.92 -52.47 33.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.55 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.97 -44.66 95.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.357 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.36 -46.29 90.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.898 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -65.75 -23.43 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.11 -48.69 18.94 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.514 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.9 m-20 -58.78 -43.44 90.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.587 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.25 -44.41 97.29 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.8 tp -61.16 -41.49 96.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.703 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 71.7 t -63.22 -42.93 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.721 0.296 . . . . 0.0 110.257 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -58.05 -42.74 86.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.05 -35.96 77.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.587 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 74.0 t80 -63.91 -38.25 90.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.736 177.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 97.1 mt-30 -63.4 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.59 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 90.5 mtt180 -62.88 -36.41 83.2 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 57.9 tp -59.61 -40.42 87.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.47 -177.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -66.27 -48.96 68.76 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.195 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.15 -31.26 72.0 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.401 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 28' ' ' ASP . 93.0 mt -79.62 -40.48 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.592 0.71 . . . . 0.0 109.918 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.75 -47.9 50.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.622 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -62.36 -27.54 69.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.479 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.03 2.38 55.27 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.9 29.5 74.36 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.507 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.508 ' HB3' HG21 ' A' ' 23' ' ' ILE . 14.9 t0 -80.27 102.23 9.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.241 0.543 . . . . 0.0 110.408 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -73.9 -43.34 58.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.372 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.25 -47.97 77.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.92 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 t -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.931 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.59 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.1 tp -60.25 -48.22 82.68 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.575 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.94 -46.06 88.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.704 0.288 . . . . 0.0 111.211 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -62.0 -45.83 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 23' ' ' ILE . 58.6 t -67.92 -33.81 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.002 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.3 mt -60.05 -35.79 75.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.62 -38.15 86.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.212 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.2 mt-10 -69.09 -42.1 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.358 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.532 ' O ' HG13 ' A' ' 43' ' ' ILE . 79.6 mt -61.45 -49.02 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.172 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -59.29 -37.61 78.12 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 178.139 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.92 -38.97 92.75 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 94.8 mt -69.21 -35.78 76.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.7 mt -62.7 -41.67 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 78.4 mt-30 -62.35 -45.27 93.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.342 176.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -61.24 -37.4 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.73 -40.64 47.9 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' NE ' HG21 ' A' ' 43' ' ' ILE . 75.9 mtm180 -66.42 -44.14 83.74 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.933 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -58.42 -40.69 83.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.584 -174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.75 -37.62 82.37 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.092 0.472 . . . . 0.0 110.282 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -73.76 -29.5 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.251 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.591 178.489 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 8.3 tp10 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.641 0.258 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.22 91.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.295 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.405 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.11 -45.08 93.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.196 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 84.5 mm-40 -65.15 -33.1 75.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -65.91 -49.18 60.3 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.465 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 9.5 m-20 -62.17 -38.93 90.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 176.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -62.21 -42.06 98.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.337 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -62.26 -39.65 93.61 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.946 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 65' ' ' GLY . 87.4 t -66.71 -41.76 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.387 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 85.1 mm-40 -67.6 -38.56 84.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -40.15 94.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.452 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.8 -40.62 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.189 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.35 -41.1 98.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.28 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.36 -41.41 93.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.953 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.48 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.473 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -41.59 92.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.87 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.36 -33.04 70.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.96 74.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.373 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.89 -35.32 71.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -67.82 -32.05 72.33 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.022 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.22 -5.01 59.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.01 22.35 75.83 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.29 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.637 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -91.12 98.29 11.67 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.05 0.452 . . . . 0.0 110.799 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -73.47 -28.92 62.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.566 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.79 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.668 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.4 m -67.07 -31.09 71.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.616 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 75.3 mt -60.18 -48.19 82.75 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.34 -45.9 91.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -68.22 -45.91 71.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.974 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.102 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.3 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.93 -39.93 90.94 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.014 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.0 -35.67 81.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.872 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.6 -40.82 93.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.9 tm-20 -64.12 -43.44 95.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -68.46 -39.62 81.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 111.244 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.77 -42.75 73.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.043 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 10.1 tt -61.37 -41.62 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.253 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 79.2 mm-40 -60.84 -37.83 83.4 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.316 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 mtmm -69.53 -42.12 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.754 0.311 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.86 -47.6 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.423 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -62.22 -40.55 96.49 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.83 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt-10 -60.74 -36.2 78.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.017 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 97.7 mt -69.47 -39.54 77.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 110.56 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 0.0 110.983 -179.462 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.4 tptt . . . . . 0 C--O 1.238 0.452 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 tp -49.96 -53.49 25.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.423 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 54.5 tt0 -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.203 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.3 p -65.01 -21.46 66.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 111.393 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.431 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -74.75 -47.34 15.07 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 3.6 m-20 -54.91 -45.37 74.75 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.87 175.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.3 mm-40 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.267 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.71 -43.88 97.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.892 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 68.7 t -61.6 -45.51 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.542 177.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 56.8 mt-30 -56.58 -45.62 81.26 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.812 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD2' HD12 ' A' ' 98' ' ' LEU . 83.9 t80 -67.5 -40.14 85.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.779 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.2 mt-30 -62.17 -43.1 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.29 0.567 . . . . 0.0 109.621 177.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -64.3 -35.97 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.288 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.81 -39.97 93.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -62.89 -48.4 79.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 mm-40 -62.78 -52.28 63.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.879 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' A' ' 28' ' ' ASP . 93.2 mt -55.75 -36.32 42.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.838 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -69.18 -48.69 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -63.59 -31.39 72.54 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.79 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 57.3 mttm -87.53 3.6 46.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.77 29.45 73.99 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.032 -0.604 . . . . 0.0 114.164 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.503 ' HB3' HG22 ' A' ' 23' ' ' ILE . 9.8 t70 -81.44 103.0 10.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.8 m-20 -70.25 -43.32 70.79 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.948 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -68.8 -47.81 65.17 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -70.18 -33.09 71.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.243 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.8 tp -59.67 -47.25 86.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.216 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 50.9 mt-10 -61.05 -46.49 90.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.052 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.98 -45.58 94.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.613 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 39' ' ' ILE . 59.6 t -63.58 -33.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.407 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.87 -38.87 83.41 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 mp0 -68.63 -37.85 80.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.74 -43.31 84.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 43' ' ' ILE . 67.7 mt -61.57 -46.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.174 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.51 -34.38 69.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.171 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 59.3 mm-40 -69.16 -40.83 77.93 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.985 0.421 . . . . 0.0 110.684 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.62 -36.83 76.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.181 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.3 mt -61.53 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.367 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.33 -45.43 91.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.102 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.24 -33.9 75.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.85 -43.95 43.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 109.73 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -67.67 -33.21 74.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.626 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.89 -31.75 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.874 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.12 -27.95 61.11 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.418 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -76.83 -26.76 54.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.859 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 N--CA 1.469 0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 111.391 -179.18 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.917 0.389 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.04 -44.49 97.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.352 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.0 86.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.34 -45.5 92.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.841 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.87 -29.6 65.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.853 0.358 . . . . 0.0 110.393 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -63.83 -48.4 76.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.71 -36.54 84.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.0 110.946 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.13 -43.63 98.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.06 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -64.76 -38.18 90.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.126 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 65' ' ' GLY . 90.7 t -64.64 -45.55 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.5 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.8 -38.95 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.593 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.01 -42.57 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.08 -41.95 85.47 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.282 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.32 -44.45 95.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.3 -40.24 89.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.451 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.54 -48.62 78.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.422 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.31 -40.02 96.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.238 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.89 -34.71 79.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.37 0.605 . . . . 0.0 109.746 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.34 69.84 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.5 -35.71 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -68.47 -33.96 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.996 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -82.76 -8.25 59.6 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.775 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.46 25.4 74.85 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.209 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.668 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -92.57 98.5 11.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.981 0.42 . . . . 0.0 110.709 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -73.49 -30.88 63.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.441 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.69 -48.56 80.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.698 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 p -71.28 -31.12 67.09 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.608 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.8 mt -60.41 -48.97 79.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 50.2 mt-10 -60.92 -45.94 92.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.806 0.336 . . . . 0.0 111.335 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.51 -43.59 84.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.32 -34.82 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.266 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.9 tp -66.65 -41.82 87.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 47.0 mm-40 -62.26 -40.24 95.54 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 109.957 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -68.24 -37.04 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.095 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.3 -45.3 93.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.43 -41.37 97.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.002 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.65 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 32.1 tt0 -69.71 -42.4 74.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.459 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.64 84.61 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.642 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 17' ' ' PHE . 2.9 tt -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -66.91 -29.07 68.85 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.456 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.65 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 78.9 mttt -70.33 -44.76 67.54 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.64 -45.63 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.958 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -58.17 -39.94 80.15 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 45.9 mt-10 -60.98 -46.05 92.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.619 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.22 -38.03 75.15 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.86 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.633 0.254 . . . . 0.0 111.546 -178.537 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.0 mttt . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 121.357 0.599 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.68 -51.86 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 7' ' ' ARG . 9.3 tpt180 -63.25 -43.18 98.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.95 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.579 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 23.1 tm0? -60.6 -44.87 95.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.019 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -70.8 -22.87 62.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -72.11 -49.66 20.67 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.05 -40.16 80.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.572 -0.314 . . . . 0.0 111.692 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.4 mm-40 -64.15 -42.52 96.72 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.799 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.87 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.036 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 10' ' ' GLY . 96.7 t -60.98 -42.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.075 178.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.84 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.23 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.39 83.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.979 0.419 . . . . 0.0 110.36 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -67.48 -38.68 84.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.007 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.51 -38.15 80.66 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.924 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' ILE . 8.0 tpm_? -69.57 -35.2 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.71 -42.56 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.871 -1.058 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -67.88 -35.62 78.82 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.65 -37.06 79.37 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.488 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 19' ' ' ARG . 77.8 mt -76.04 -36.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.624 0.726 . . . . 0.0 109.696 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.24 -46.32 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.155 -176.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -61.66 -22.84 65.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.451 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -92.01 3.56 54.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.97 28.39 73.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.223 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -86.53 102.22 13.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.293 0.568 . . . . 0.0 110.531 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.05 -42.55 47.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.304 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.77 -47.42 83.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.989 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 t -73.17 -31.33 64.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 49.9 tp -59.35 -48.25 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.29 -47.17 84.48 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.969 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.84 -46.32 91.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.614 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.01 -34.17 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.927 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.7 mt -59.23 -43.81 92.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.136 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -67.46 -34.87 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 mt-10 -69.92 -43.13 72.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 43' ' ' ILE . 62.7 mt -59.78 -47.91 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.951 177.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 45.9 mt-10 -58.51 -37.23 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.94 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 30.4 tt0 -68.94 -35.99 77.43 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.9 mt -69.21 -36.5 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.155 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.6 mt -60.6 -40.83 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.481 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 69.8 mt-30 -63.7 -44.13 94.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.341 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 65.3 mttm -61.61 -37.51 84.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.773 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -77.25 -44.47 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -67.55 -35.26 78.71 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.623 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -58.66 -34.88 71.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.61 -30.97 70.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.197 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -77.09 -31.48 55.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.064 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 CA--C 1.515 -0.372 0 CA-C-O 121.273 0.559 . . . . 0.0 110.058 178.548 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 121.011 0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.43 97.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.35 92.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.1 tptm -63.87 -43.91 94.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.02 -38.62 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.105 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.551 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -42.17 99.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.064 178.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.34 -44.42 97.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 110.485 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.8 mm-40 -65.49 -36.07 82.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -62.45 -38.94 91.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -66.41 -38.06 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.754 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.8 mt-30 -69.27 -39.44 78.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.95 -39.94 93.82 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.54 -37.7 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.698 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 79.0 mt-30 -62.59 -38.94 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.8 mmt180 -66.17 -37.69 86.25 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.7 -46.62 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.338 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -61.22 -41.21 96.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.147 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 49.3 mt-10 -65.84 -36.5 83.65 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.914 0.388 . . . . 0.0 110.156 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.62 89.39 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.74 -42.53 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.871 0.367 . . . . 0.0 110.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -68.19 -30.67 69.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.03 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -90.63 0.45 57.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.81 19.65 75.28 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.152 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -88.46 95.03 10.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.026 0.441 . . . . 0.0 110.002 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -76.52 -28.79 56.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.961 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 -49.51 76.95 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.0 m -63.37 -30.86 71.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 93.9 mt -60.11 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.331 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 36.6 mt-10 -62.86 -41.62 99.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.929 0.395 . . . . 0.0 111.182 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -66.76 -45.29 79.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.38 -34.4 75.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.43 -43.9 96.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 110.755 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 27.9 mm-40 -68.35 -35.92 78.46 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.195 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.62 -44.2 91.3 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 109.774 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.35 -41.47 97.11 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.42 -46.12 91.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.329 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.68 -42.89 85.82 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.89 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.553 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.32 -45.55 76.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.04 -45.86 91.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -62.02 -41.19 97.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.598 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.0 -36.95 80.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.457 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 97' ' ' ALA . 99.6 mt -61.61 -45.27 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -58.04 -44.49 87.4 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.365 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.93 -41.86 97.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.341 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.06 -38.47 66.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 111.777 -179.755 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.239 0.544 0 CA-C-O 121.273 0.558 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.98 -53.4 13.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.6 ttt-85 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.335 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.516 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 p -64.44 -23.07 67.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.184 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -76.63 -48.65 8.73 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 49.1 m-20 -59.01 -44.98 91.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 122.284 0.233 . . . . 0.0 110.898 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.25 -40.1 95.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.886 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.91 -38.88 83.56 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 10' ' ' GLY . 64.8 t -66.83 -41.44 87.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -60.95 -38.53 86.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.43 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.23 -38.67 85.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.997 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.73 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -64.98 -39.59 93.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.915 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.94 -38.55 82.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -47.63 84.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 47.0 mt-10 -66.54 -52.86 41.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.464 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.42 -34.12 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.84 -44.04 94.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.79 -21.33 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.533 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.2 mttt -90.58 -13.12 35.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.218 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.63 28.81 73.75 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.133 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.27 80.75 3.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.126 0.488 . . . . 0.0 110.664 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 -29.73 45.81 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.459 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -63.42 -50.24 70.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.044 0.449 . . . . 0.0 110.835 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -75.57 -32.83 60.53 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.075 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 1.9 tt -58.99 -48.01 83.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.818 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.73 -40.44 92.38 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 110.879 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.43 -45.12 88.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.027 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -33.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.001 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 92.5 mt -59.84 -34.57 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.244 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -64.83 -39.14 93.09 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.07 -45.7 87.61 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.396 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 43' ' ' ILE . 78.2 mt -64.87 -49.28 80.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.581 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 10.5 tp10 -56.95 -45.23 82.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.5 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 21.2 mm-40 -64.49 -43.84 92.9 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.8 -35.95 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.474 0.175 . . . . 0.0 111.474 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.4 mt -61.47 -46.67 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 79.8 mm-40 -62.04 -45.32 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.602 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 67.2 mttm -67.16 -34.11 76.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -77.16 -44.85 28.77 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -68.27 -30.31 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.396 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -56.3 -41.34 75.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.932 0.396 . . . . 0.0 110.378 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.33 -28.9 64.41 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -74.37 -40.7 61.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.183 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.08 0.466 . . . . 0.0 110.828 -179.3 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 120.503 0.192 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.43 89.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.436 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.791 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.19 -45.64 93.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -68.26 -29.99 68.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.86 -48.62 69.77 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.46 -40.97 88.59 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.026 0.441 . . . . 0.0 110.213 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.3 -42.53 99.44 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.579 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.06 -39.78 87.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.935 0.398 . . . . 0.0 109.997 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 89.6 t -67.23 -40.36 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.779 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -62.01 -45.17 94.77 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.712 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.61 -38.48 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.239 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.36 -43.69 96.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.517 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.8 mt-30 -62.3 -42.19 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -64.49 -38.79 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.188 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.4 t80 -60.67 -45.79 92.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.713 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -58.11 -42.2 85.19 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -66.37 -33.93 76.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.93 67.95 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.264 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.9 mt -72.86 -45.48 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.536 0.684 . . . . 0.0 109.281 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -70.19 -33.49 71.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.743 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -94.71 2.54 55.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.41 73.21 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.975 -0.631 . . . . 0.0 114.193 174.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.3 t70 -88.02 96.06 10.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 117.518 0.659 . . . . 0.0 109.304 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -64.53 -41.06 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.591 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.952 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -64.13 -33.39 75.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.3 mt -61.41 -49.65 75.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.117 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 30.0 mt-10 -59.35 -49.24 78.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.954 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.45 -44.86 70.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.5 mt -64.7 -34.33 78.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.057 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 43.4 tp -68.46 -42.28 78.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.229 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 88' ' ' GLU . 31.5 mt-10 -66.13 -36.67 83.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.98 0.419 . . . . 0.0 110.149 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.17 -38.34 90.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.458 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.3 mt -61.94 -40.6 96.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.938 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.5 mt-10 -61.78 -44.67 96.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 78.9 mm-40 -69.0 -44.53 72.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.238 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.1 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.471 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.91 -46.2 90.4 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.356 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -65.03 -32.4 74.1 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.595 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 8.7 mtpm? -71.54 -41.53 69.04 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.738 0.304 . . . . 0.0 111.076 -178.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.61 -44.86 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.229 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.477 ' HD2' HG21 ' A' ' 14' ' ' VAL . 67.7 mtp85 -66.36 -35.2 79.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.5 -42.87 99.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.104 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.9 mt -66.83 -40.71 88.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.436 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.486 -179.054 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 mttm . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.7 tp -49.94 -52.94 29.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.468 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -64.73 -44.57 89.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.715 0.293 . . . . 0.0 111.419 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.681 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -66.44 -20.49 66.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.058 0.456 . . . . 0.0 111.071 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -75.13 -49.08 9.97 Favored Glycine 0 N--CA 1.438 -1.18 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 m-20 -57.82 -41.49 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.592 176.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -44.56 96.66 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.09 -39.64 90.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.2 t -60.88 -45.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.939 0.4 . . . . 0.0 110.095 176.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 86.2 mm-40 -57.43 -45.43 84.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.496 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.81 85.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.042 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.115 0.484 . . . . 0.0 109.764 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -63.67 -37.95 89.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.993 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.11 -35.29 79.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.757 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.49 -39.19 92.67 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.795 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -63.59 -46.4 86.01 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.921 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.685 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 29.6 tt0 -61.19 -51.83 67.38 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 -178.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.6 mt -56.75 -36.52 49.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.821 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -68.14 -47.74 67.24 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.4 -33.45 75.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.942 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.685 ' HD3' ' O ' ' A' ' 22' ' ' GLU . 3.9 mptp? -88.69 -5.18 58.29 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.01 29.88 62.84 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.457 0.543 . . . . 0.0 114.457 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.73 84.58 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.812 0.806 . . . . 0.0 110.759 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.68 -30.39 63.37 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.063 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.69 -47.8 61.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.987 0.422 . . . . 0.0 110.624 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.6 p -65.99 -32.03 73.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.729 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.0 tp -62.12 -43.4 98.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.948 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -58.26 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.741 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.84 -46.07 66.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.311 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.1 -34.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.42 -34.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.384 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 39.3 mt-10 -68.76 -39.33 80.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.764 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 42.4 mm-40 -64.38 -45.45 87.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.985 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 43' ' ' ILE . 82.7 mt -60.46 -48.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.97 -38.99 77.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.395 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 42.8 mm-40 -71.38 -34.97 70.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.844 0.354 . . . . 0.0 110.553 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 59.3 mt -66.31 -37.17 84.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.2 mt -61.13 -42.58 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.43 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.674 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 78.7 mt-30 -63.34 -46.79 84.98 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.984 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 48.0 mtmt -61.57 -34.5 75.7 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.119 0.485 . . . . 0.0 111.235 -177.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.38 -43.66 39.68 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.658 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -65.77 -33.2 75.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.877 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.4 mt-30 -58.38 -32.79 68.92 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.052 0.453 . . . . 0.0 110.6 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.29 -33.8 67.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.302 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -76.92 -30.93 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.983 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.634 179.317 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 . . . . . 0 C--O 1.225 -0.199 0 CA-C-O 120.907 0.384 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.4 94.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.92 -38.4 69.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 110.2 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -64.29 -44.52 91.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.382 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -68.11 -40.77 82.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.292 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.533 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.67 -38.77 96.44 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.58 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.4 m-20 -62.92 -40.94 99.14 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 117.123 0.461 . . . . 0.0 110.727 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.24 -42.48 96.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.106 0.479 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.56 -38.09 80.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.194 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -66.63 -39.93 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.129 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 9.4 mm100 -61.47 -45.71 93.11 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.046 0.45 . . . . 0.0 109.981 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.66 -37.38 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.07 -43.19 99.26 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.192 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 96.6 mt-30 -60.9 -44.15 97.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.344 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 90.4 mtt180 -63.29 -38.68 92.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.88 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.433 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.0 t80 -59.97 -47.12 87.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.829 178.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -58.25 -45.97 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.884 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 43.9 mm-40 -65.47 -33.73 76.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -177.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.11 69.44 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 75' ' ' PHE . 92.3 mt -71.2 -37.56 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -65.25 -31.27 72.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.139 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -88.99 -6.62 57.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.583 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.2 27.79 73.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.629 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.494 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 14.6 t70 -93.15 102.13 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.845 0.323 . . . . 0.0 110.418 -177.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.2 pttp -72.76 -25.52 61.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.044 0.449 . . . . 0.0 110.599 -175.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 28.3 m-20 -66.56 -48.61 69.1 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.397 -172.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.5 p -71.05 -30.62 66.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.753 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.1 mt -60.78 -46.73 89.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.632 0.253 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 39.9 mt-10 -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.645 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -69.0 -46.29 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.673 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 96.3 mt -66.11 -39.18 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.721 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.566 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 52.1 tp -61.1 -44.9 96.65 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.567 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 40.3 mt-10 -62.72 -43.26 99.26 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.16 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.26 -34.47 77.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.241 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.4 mt -63.54 -45.3 91.19 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.0 mt-10 -60.75 -41.72 95.98 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.987 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 76.8 mt-30 -69.19 -44.52 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 111.163 -178.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.83 78.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.99 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.8 -47.48 84.93 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.009 0.433 . . . . 0.0 110.852 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 48.4 mt-30 -64.03 -30.24 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.833 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -72.39 -44.15 62.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.029 0.442 . . . . 0.0 110.208 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.57 -46.51 96.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -58.01 -41.21 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 28.9 mm-40 -68.13 -30.29 69.4 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.13 -43.82 61.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.17 0.51 . . . . 0.0 110.118 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.063 -177.665 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.2 tttp . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.6 -48.66 48.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.173 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -62.29 -46.02 90.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.717 175.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.77 -44.88 96.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.874 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -65.5 -23.97 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.721 0.296 . . . . 0.0 111.25 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -70.35 -52.3 17.86 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -43.44 74.25 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 120.763 0.316 . . . . 0.0 111.365 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.08 -45.02 95.35 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.803 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.53 -44.4 97.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.069 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 10' ' ' GLY . 91.1 t -61.02 -45.55 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.501 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -59.25 -38.3 79.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.21 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.96 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 0.0 110.442 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -64.25 -38.43 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.62 -43.94 97.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -65.43 -34.79 79.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.094 0.473 . . . . 0.0 109.82 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.08 -39.57 86.53 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.959 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.76 -46.61 89.8 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.438 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.11 -52.58 64.31 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.442 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.9 mt -56.71 -40.19 68.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.379 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -68.28 -49.18 62.28 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.553 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.856 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.54 3.81 53.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.712 0.291 . . . . 0.0 111.42 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.7 29.65 58.42 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.3 87.76 5.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 118.357 1.078 . . . . 0.0 112.214 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 m-20 -56.13 -32.8 64.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.65 -47.62 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -74.22 -32.2 62.92 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.194 0.521 . . . . 0.0 109.98 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 31.1 tp -61.08 -42.87 99.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.621 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 37.5 mt-10 -57.86 -46.25 85.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.008 0.432 . . . . 0.0 111.242 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.16 -38.82 92.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.666 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' A' ' 23' ' ' ILE . 57.7 t -69.65 -34.97 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.307 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.1 mt -60.78 -35.25 75.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.99 -41.77 90.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.2 tp10 -67.28 -42.52 83.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.159 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 43' ' ' ILE . 69.5 mt -62.33 -47.61 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.17 -38.6 73.82 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.527 0.203 . . . . 0.0 111.302 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.36 -44.87 86.3 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.734 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.6 mt -62.3 -37.47 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.273 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.2 mt -63.92 -48.04 87.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.465 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.63 -43.0 90.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.502 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.86 -35.65 81.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.621 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -76.54 -41.7 45.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.979 0.418 . . . . 0.0 109.965 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -68.89 -33.53 73.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.102 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.44 70.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 111.099 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.88 -28.27 68.19 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -71.33 -27.36 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.385 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -177.787 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.994 0.426 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.61 95.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.801 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.95 84.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.331 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.14 -43.02 99.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.292 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.38 -30.64 70.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.67 -48.73 64.73 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.57 -38.79 88.82 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.649 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp60 -63.32 -43.57 97.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.069 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -61.38 -40.01 92.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.79 -41.03 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.951 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 9.3 tt0 -67.69 -40.36 84.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.223 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 94.2 mt -61.99 -39.62 92.81 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.53 -41.21 96.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.384 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -64.95 -38.68 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -68.65 -36.64 78.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' CE2' HD13 ' A' ' 79' ' ' ILE . 83.8 t80 -60.98 -49.18 78.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.699 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' OD2' ' A' ' 80' ' ' ASP . 49.6 ttt180 -65.82 -36.19 82.78 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.613 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 2.6 mm-40 -59.84 -39.71 86.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.34 74.74 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.792 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.405 HD13 ' CE2' ' A' ' 75' ' ' PHE . 95.5 mt -57.14 -45.43 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.245 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' A' ' 76' ' ' ARG . 73.9 m-20 -63.12 -34.02 76.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 109.917 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 31.6 mmtp -88.68 5.11 44.71 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.13 12.81 66.16 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.994 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.527 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -83.48 98.91 9.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.27 0.557 . . . . 0.0 111.829 -177.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.28 -31.41 58.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.358 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.47 -49.95 75.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.641 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -66.48 -29.87 70.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.7 mt -58.13 -40.37 81.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.763 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.14 -46.12 89.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.589 0.233 . . . . 0.0 111.383 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.68 -46.2 69.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.713 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.68 -34.88 78.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.903 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.63 -38.36 80.44 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.4 -45.27 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -65.26 -39.53 92.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.364 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.43 -47.79 80.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.591 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.27 90.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.023 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 79.8 mt-30 -63.97 -42.98 97.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.048 0.451 . . . . 0.0 111.32 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.15 73.18 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.632 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.12 -46.93 88.58 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 1.7 mp0 -62.87 -38.63 91.62 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.996 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 73.1 mmtt -70.14 -41.68 73.55 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.549 -176.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.99 -45.89 97.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.21 -39.01 93.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.43 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.2 mt-10 -62.4 -45.9 91.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.627 0.251 . . . . 0.0 111.12 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.28 -42.61 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.832 0.348 . . . . 0.0 111.505 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.908 -178.567 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.64 -53.28 32.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.441 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -64.43 -43.36 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.895 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -58.93 -44.25 91.31 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -68.31 -16.56 63.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.518 . . . . 0.0 110.641 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -80.76 -50.35 5.3 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.63 -44.36 77.06 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.215 0.531 . . . . 0.0 109.749 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.65 -44.62 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.724 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.37 -40.19 95.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.69 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 10' ' ' GLY . 95.6 t -64.42 -46.9 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.981 0.42 . . . . 0.0 110.45 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 78.6 mt-30 -58.83 -42.85 90.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.026 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.13 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.981 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.71 -38.23 74.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.4 -40.12 96.35 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 21.2 mmt180 -65.16 -35.96 82.74 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.252 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.14 -36.76 78.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.484 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' A' ' 25' ' ' ASP . 3.1 mmm180 -65.97 -47.69 73.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 53.5 mm-40 -67.99 -29.97 69.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.256 -176.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.9 mt -76.48 -35.97 27.54 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -72.07 -43.4 64.92 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.664 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' HH21 ' A' ' 21' ' ' ARG . 20.1 m-20 -63.45 -32.69 74.21 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.292 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 47.3 mmtm -89.08 0.49 56.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.274 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.46 29.31 74.92 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 114.408 0.523 . . . . 0.0 114.408 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.71 76.89 4.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.552 0.676 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.51 -28.02 58.82 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.836 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.17 -48.79 69.57 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.434 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -74.1 -32.51 63.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 32.3 tp -60.2 -48.19 82.76 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.921 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.82 -46.1 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.72 -40.15 91.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.9 t -69.85 -34.85 62.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 mt -60.43 -42.92 97.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.206 -0.309 . . . . 0.0 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.81 -39.01 92.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.232 0.539 . . . . 0.0 109.665 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.4 tt0 -64.66 -44.07 91.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.32 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.4 mm -60.46 -48.97 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.215 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.64 -39.78 81.51 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.391 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -70.08 -35.34 74.12 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.277 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.3 mt -66.39 -36.16 82.16 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.0 mt -61.31 -43.14 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.65 -44.79 92.8 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -63.61 -35.86 81.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.992 0.425 . . . . 0.0 111.245 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.74 -44.61 32.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.287 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -68.64 -32.47 72.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -60.04 -34.78 73.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.982 0.42 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.23 -28.79 61.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.218 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -72.3 -30.3 64.66 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.468 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 . . . . . 0 CA--C 1.512 -0.497 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.805 178.835 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.937 0.399 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.73 93.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.615 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.98 95.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.926 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.59 -42.76 99.32 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.54 -31.29 72.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.683 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -62.24 -47.5 89.3 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.727 177.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 52.0 m-20 -58.66 -44.81 90.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.939 0.4 . . . . 0.0 110.43 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -62.2 -41.0 97.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.072 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -60.48 -39.92 89.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 65' ' ' GLY . 94.7 t -63.41 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 78.0 mm-40 -65.53 -43.15 90.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.7 -42.14 98.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.451 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -60.55 -45.14 95.0 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.651 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.5 mm-40 -61.56 -44.42 97.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.1 mtt180 -64.03 -34.76 78.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.94 0.4 . . . . 0.0 110.129 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.74 -48.09 78.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.738 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -64.0 -40.24 95.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.382 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 50.5 mt-10 -63.19 -33.38 75.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.058 0.456 . . . . 0.0 110.161 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.44 74.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.8 mt -71.82 -36.74 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -69.19 -37.85 78.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.206 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -84.59 -7.81 59.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.352 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.8 27.82 70.08 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.842 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.48 96.89 10.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -69.86 -32.7 71.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.905 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.534 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.2 m -66.66 -30.09 70.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.47 -49.57 76.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.137 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.13 -45.22 67.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.198 0.523 . . . . 0.0 110.92 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.02 -36.67 78.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.043 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 48.8 tp -63.81 -43.38 96.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 28.5 tp10 -62.27 -45.16 94.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.507 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.59 -34.12 75.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.641 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.9 mt -60.46 -47.32 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.051 0.453 . . . . 0.0 110.093 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 43.4 mt-10 -61.06 -43.27 99.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.725 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 95.7 mt-30 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 0.0 111.249 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.51 71.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.206 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.2 -46.82 88.89 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.952 0.406 . . . . 0.0 110.795 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -62.44 -30.5 71.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -73.81 -44.37 56.05 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.44 -46.64 94.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.048 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -66.2 -31.93 73.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 0.0 109.537 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.98 -46.56 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.06 -42.26 60.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.036 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.221 0.534 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.51 -48.72 38.25 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -67.25 -36.95 82.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.526 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.1 -30.85 71.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.504 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -88.27 -18.21 29.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.254 0.55 . . . . 0.0 110.188 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.96 -48.39 6.12 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.84 -37.07 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.715 0.293 . . . . 0.0 110.743 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.78 -45.28 93.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.1 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.53 -39.77 92.27 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.625 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 93.6 t -64.35 -47.19 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.4 -45.26 88.7 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.935 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.5 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.255 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.32 -39.0 88.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.943 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.5 mt-30 -65.2 -40.05 93.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.903 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -62.16 -37.15 84.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.055 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.99 -45.55 88.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.479 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.78 -51.36 69.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.597 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.22 -35.77 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.792 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.498 ' CD2' HD21 ' A' ' 91' ' ' LEU . 46.6 t80 -68.58 -47.12 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.675 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -61.83 -31.06 71.27 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -82.39 -1.55 50.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.22 27.47 57.71 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 114.153 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -91.75 87.31 6.24 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.794 -0.763 . . . . 0.0 111.589 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.78 -29.12 64.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.293 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.44 -50.02 66.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.1 t -74.88 -32.31 61.83 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.031 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.652 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.3 tp -61.58 -47.65 84.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.29 -42.09 94.75 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.44 -40.93 85.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.3 t -66.3 -32.76 59.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.033 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.08 -39.6 82.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.641 0.258 . . . . 0.0 110.4 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.12 -32.97 74.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 109.942 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.1 tp10 -67.36 -43.9 80.32 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 43' ' ' ILE . 47.8 mm -62.35 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.844 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 48.1 mt-10 -56.7 -41.48 77.47 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.352 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.51 -35.43 73.21 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 71.8 mt -68.23 -35.28 77.7 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.797 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -59.86 -44.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 71.5 mm-40 -69.63 -39.28 77.26 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.419 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.4 -44.59 96.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.407 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -70.17 -42.59 72.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.371 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -66.86 -31.78 72.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.563 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 53.2 mm-40 -60.71 -36.85 79.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 111.354 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -75.57 -28.82 59.12 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.038 0.447 . . . . 0.0 110.029 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -68.62 -28.75 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.673 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 CA--C 1.518 -0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.331 178.367 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 tp10 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.709 0.29 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.2 93.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.72 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -62.68 -44.57 95.91 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.931 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.522 ' OE1' ' HE3' ' A' ' 100' ' ' LYS . 34.5 mt-30 -65.35 -34.55 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.52 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -43.02 99.88 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.651 176.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.39 -45.69 87.83 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 120.973 0.416 . . . . 0.0 110.153 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.08 -42.49 96.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.848 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -62.84 -39.21 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.391 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 65' ' ' GLY . 81.8 t -65.15 -41.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.09 -36.01 81.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.486 0.66 . . . . 0.0 109.592 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -69.28 -42.26 75.73 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.031 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.65 -37.22 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.058 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -58.65 -45.02 90.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -64.08 -39.16 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.41 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.441 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.8 t80 -63.02 -48.77 77.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.459 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -58.39 -46.4 86.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.695 177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.75 -34.26 75.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.13 -30.94 67.12 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.0 mt -74.32 -41.25 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.99 -32.05 73.46 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.094 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -85.13 -3.25 58.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.817 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.81 26.21 73.92 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.7 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -92.53 76.78 5.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.587 0.708 . . . . 0.0 111.156 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.4 -25.31 49.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.726 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -60.15 -50.6 73.05 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.494 0.664 . . . . 0.0 110.295 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -72.85 -30.92 64.39 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.727 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 50.3 mt -60.22 -47.06 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.9 -45.5 90.13 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.04 -46.0 65.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.695 0.283 . . . . 0.0 111.707 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.11 -33.11 75.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.541 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.498 HD21 ' CD2' ' A' ' 24' ' ' PHE . 42.4 tp -63.53 -43.04 98.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.975 0.417 . . . . 0.0 110.202 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.41 -44.67 95.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.139 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.726 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.99 -47.28 85.51 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.345 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.0 tt0 -61.68 -46.21 90.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.833 -178.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -68.89 -41.06 78.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.994 0.426 . . . . 0.0 111.459 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.57 80.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.15 -44.99 78.42 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.504 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.4 mm-40 -61.89 -36.3 80.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.2 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.522 ' HE3' ' OE1' ' A' ' 64' ' ' GLN . 27.9 ttpt -70.87 -38.44 73.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.404 -176.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.59 -41.35 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.418 HH11 HG22 ' A' ' 14' ' ' VAL . 35.3 mtp85 -61.83 -38.27 87.56 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 47.9 mt-10 -60.47 -38.54 84.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.847 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.22 -38.98 86.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.025 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 64.39 7.69 3.78 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.464 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 52.9 m-85 -68.02 -28.91 67.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 40.7 tt0 -73.62 -42.07 61.96 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.82 -50.26 69.61 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.169 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.2 mt -49.81 -38.42 34.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.698 174.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.615 ' HA ' F22D ' A' ' 201' ' ' 7BU . 80.3 mtt180 -70.23 -44.61 68.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.521 0.2 . . . . 0.0 111.282 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 19.2 mt-30 -66.62 -32.11 73.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.854 0.359 . . . . 0.0 110.957 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -87.97 -19.11 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.215 0.531 . . . . 0.0 110.338 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -81.21 -42.74 9.15 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.56 -47.87 78.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.923 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -64.93 -40.43 95.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.96 -46.44 90.71 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.107 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG21 ' HD2' ' A' ' 102' ' ' ARG . 73.0 t -63.56 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.437 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.59 -41.65 81.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.4 80.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.226 0.536 . . . . 0.0 109.995 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -64.8 -39.52 93.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.073 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -65.98 -37.44 85.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.63 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.16 -35.54 80.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.769 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.46 -36.89 83.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.93 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.48 -44.74 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.842 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.69 -51.85 67.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.303 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.4 mt -57.71 -35.39 50.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.485 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.3 -47.4 70.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -63.41 -27.07 69.04 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.263 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.43 -4.07 58.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.487 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.77 27.92 56.41 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.301 -0.476 . . . . 0.0 114.081 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.01 84.85 5.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.432 0.616 . . . . 0.0 110.838 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -57.0 -28.42 62.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.412 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.13 -49.38 70.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.041 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -73.58 -31.82 63.8 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.13 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.7 tp -60.0 -45.4 92.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.412 -177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.22 -42.65 98.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.68 0.276 . . . . 0.0 111.475 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.12 -43.75 97.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.108 0.48 . . . . 0.0 110.647 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 39' ' ' ILE . 53.0 t -70.28 -35.44 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 81.8 mt -60.88 -36.58 79.57 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.963 0.411 . . . . 0.0 110.275 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 53.0 mm-40 -70.56 -40.65 73.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp10 -62.17 -43.2 99.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.356 0.598 . . . . 0.0 109.6 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 43' ' ' ILE . 61.7 mt -63.36 -47.04 93.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.398 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -57.28 -40.48 77.83 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.69 178.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 51.4 mm-40 -65.99 -38.98 89.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 110.196 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.3 mt -69.36 -36.26 76.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.0 mt -61.53 -46.19 97.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 81.8 mm-40 -63.13 -41.88 99.4 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.407 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.66 -40.84 96.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.323 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -78.54 -44.0 25.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.672 ' HG3' F23B ' A' ' 201' ' ' 7BU . 33.6 ttt-85 -65.17 -38.05 89.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.755 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -58.1 -33.52 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.26 -37.43 87.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.195 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -77.65 -33.0 53.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -67.2 -38.01 84.61 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.52 -67.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.276 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 53' ' ' ARG . 43.0 mtt180 -113.6 103.39 11.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.907 0.384 . . . . 0.0 110.67 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -81.73 77.29 8.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.077 0.465 . . . . 0.0 110.812 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.41 -62.38 1.36 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.053 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' HA ' F21A ' A' ' 201' ' ' 7BU . . . 65.88 167.32 0.2 Allowed 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.641 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -95.87 -8.64 33.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.02 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 174.22 158.75 0.16 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.811 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.9 p -74.59 -33.94 62.75 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.35 -38.96 91.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.495 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.42 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.67 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.44 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.199 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.62 -44.95 95.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.205 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.42 -29.87 65.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.57 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.468 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -64.3 -49.32 66.65 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.74 -37.32 87.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.874 0.368 . . . . 0.0 110.717 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -62.53 -40.75 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.258 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.403 ' CE3' H3B1 ' A' ' 201' ' ' 7BU . 78.8 t90 -61.78 -37.95 86.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.162 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 65' ' ' GLY . 58.3 t -65.54 -38.88 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.449 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 77.8 mt-30 -68.7 -38.71 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.214 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.83 -39.26 93.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.831 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.524 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.0 mt-30 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.378 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 99.1 mtt180 -67.31 -37.14 82.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.0 -47.82 83.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.646 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -65.4 -36.71 84.79 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.987 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 37.8 mt-10 -61.55 -36.84 81.75 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.73 -30.54 68.18 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.16 -40.42 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.86 -33.6 75.06 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.45 -6.13 58.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.86 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.77 27.61 73.04 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.336 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t70 -91.35 96.97 10.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -72.29 -33.13 67.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.221 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.74 -49.62 74.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.795 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -65.64 -30.72 71.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.726 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.9 mt -59.02 -47.5 84.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.619 0.247 . . . . 0.0 111.032 -178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.34 -41.14 98.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.189 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -68.93 -46.64 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 111.359 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.45 -33.58 76.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.87 -42.92 99.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.229 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.445 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 30.9 tt0 -62.15 -45.03 95.22 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.045 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.82 -35.77 81.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.009 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.18 -48.27 76.57 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.822 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.935 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' NE2' ' HG2' ' A' ' 92' ' ' GLU . 47.5 mt-30 -64.95 -42.12 94.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.061 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -42.72 87.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.941 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.624 ' HA ' F22C ' A' ' 201' ' ' 7BU . 9.0 tt -61.97 -46.88 87.32 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.719 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.817 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HZ2' ' HB3' ' A' ' 100' ' ' LYS . 9.6 mtpm? -71.57 -44.13 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.559 0.219 . . . . 0.0 111.439 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.455 HD12 F21C ' A' ' 201' ' ' 7BU . 95.9 mt -60.94 -46.21 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.481 ' HD2' HG21 ' A' ' 14' ' ' VAL . 42.0 mtp85 -59.0 -42.87 91.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.587 0.232 . . . . 0.0 111.497 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.57 -46.02 91.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.906 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.1 mt -65.83 -42.8 90.08 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.8 -28.06 68.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -76.46 -11.2 59.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -143.43 -163.98 1.76 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.51 ' HD3' ' C ' ' A' ' 108' ' ' LYS . 7.4 tmtt? -122.05 116.18 23.81 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 108' ' ' LYS . 8.5 t30 . . . . . 0 C--N 1.313 -1.021 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.308 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.736 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 120.885 0.374 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.435 ' OE2' ' HD3' ' A' ' 53' ' ' ARG . 1.6 mp0 -91.09 -25.51 19.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -65.03 -44.79 87.96 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.901 0.382 . . . . 0.0 111.043 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.1 -42.36 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.014 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.94 -45.96 91.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.143 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 mt -48.64 -51.31 28.9 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.007 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.61 ' HA ' F22D ' A' ' 201' ' ' 7BU . 53.1 mtt-85 -64.68 -44.53 90.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.722 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 54.1 tt0 -60.12 -47.57 85.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.288 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 p -67.59 -21.82 65.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.76 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.555 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -74.35 -47.62 16.56 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 177.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -56.46 -42.04 77.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.104 -0.548 . . . . 0.0 110.723 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 51.7 mt-10 -61.25 -46.07 91.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.302 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.77 -44.77 96.24 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 97.7 t -60.63 -47.61 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.736 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.33 -38.94 74.86 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.395 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.98 77.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -67.21 -38.98 86.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.422 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 87.0 mt-30 -62.4 -37.4 85.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 0.0 109.88 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.561 ' O ' HG12 ' A' ' 23' ' ' ILE . 5.9 ttp180 -68.75 -35.63 77.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.908 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.78 -39.4 88.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -64.47 -46.55 82.58 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.755 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 28.2 tt0 -61.21 -50.01 74.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.896 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 19' ' ' ARG . 48.7 mm -54.68 -37.29 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -70.31 -46.66 63.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.164 0.507 . . . . 0.0 109.941 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.55 -22.03 64.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.326 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 50.9 mtmt -93.09 -6.53 47.87 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.83 26.9 61.1 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.471 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -87.17 80.79 8.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.595 . . . . 0.0 110.021 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.46 -31.01 65.51 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.191 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.91 -48.15 77.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.447 0.641 . . . . 0.0 109.681 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.432 ' OG ' HD13 ' A' ' 23' ' ' ILE . 86.5 p -71.75 -31.01 66.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.956 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 50.0 tp -59.65 -40.97 89.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.285 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 33.7 tt0 -58.37 -44.6 88.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.563 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.27 -39.12 93.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.78 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' ILE . 96.1 t -70.38 -38.23 73.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.753 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.4 mt -61.48 -37.27 83.01 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 41.4 mt-10 -67.21 -40.14 86.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.0 109.854 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.4 mt-10 -67.71 -42.28 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.189 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.537 ' O ' HG13 ' A' ' 43' ' ' ILE . 73.2 mt -63.58 -48.59 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 13.3 tm-20 -57.82 -38.26 75.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.86 -40.48 83.64 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.001 0.429 . . . . 0.0 110.571 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 97.3 mt -68.94 -35.73 77.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.7 mt -60.94 -45.55 98.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 74.0 mm-40 -65.65 -44.81 85.23 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.271 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.76 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.68 -44.61 32.97 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.822 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.501 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 24.2 ttt180 -71.5 -31.51 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 93.9 mt-30 -58.34 -31.32 67.46 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.261 0.553 . . . . 0.0 110.501 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.43 -36.14 65.89 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.955 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.87 -34.45 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.488 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.501 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 63.7 m-20 -70.22 -34.44 72.9 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.2 0.524 . . . . 0.0 110.484 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -87.86 15.07 7.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.099 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HD3' ' OE2' ' A' ' 2' ' ' GLU . 13.0 mmm180 -133.75 -65.92 0.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 65.12 153.14 0.06 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.447 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 54.47 32.06 15.99 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.83 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.97 -33.16 70.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.44 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.572 ' HB3' F23A ' A' ' 201' ' ' 7BU . . . -147.87 -159.31 1.01 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.689 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.05 154.29 42.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.225 0.328 . . . . 0.0 110.358 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.3 m -70.98 -26.25 63.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.548 0.213 . . . . 0.0 111.356 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 29.6 tt0 -61.57 -42.19 98.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.956 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.53 92.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.811 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.29 93.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.38 -44.67 94.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.983 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.533 ' OE1' ' HA ' ' A' ' 101' ' ' ILE . 3.4 pt20 -70.54 -29.0 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.969 0.414 . . . . 0.0 110.129 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.455 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -63.78 -48.39 77.32 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.607 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.9 m-20 -63.54 -37.55 87.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.733 0.302 . . . . 0.0 110.711 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -61.75 -42.42 98.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.285 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -61.91 -37.95 86.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.767 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 65' ' ' GLY . 94.2 t -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.981 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 70.9 mm-40 -62.18 -42.61 99.44 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.01 -39.2 91.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -63.98 -42.49 97.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.379 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 92.7 mt-30 -60.85 -44.57 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.079 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 83.4 mtt180 -65.41 -36.89 85.31 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.54 -47.98 83.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.166 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -65.42 -37.57 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.16 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -38.1 87.53 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.743 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.03 -33.01 74.77 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.531 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.73 -34.75 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.179 0.514 . . . . 0.0 109.685 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -73.21 -34.98 66.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.925 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -81.57 -7.86 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.499 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.16 24.64 76.45 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.657 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.431 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t0 -92.41 96.27 10.15 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -73.48 -31.59 63.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.969 -177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.63 -44.68 93.17 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.463 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.9 m -65.74 -30.54 71.21 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.573 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.9 mt -59.03 -47.25 85.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.161 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -61.81 -41.65 98.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.907 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 -45.22 68.34 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.95 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.84 -36.68 84.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.76 -44.93 94.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.411 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.11 -41.77 85.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.837 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.4 mt -64.56 -48.47 74.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.767 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 29.5 tt0 -60.79 -45.74 93.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.65 -39.7 91.68 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.204 0.526 . . . . 0.0 110.797 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.06 -45.36 70.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.519 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.634 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.2 tt -61.74 -46.01 91.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.996 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 73.4 mm-40 -60.49 -41.14 93.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.328 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -72.14 -37.02 69.51 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.865 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 97' ' ' ALA . 79.4 mt -61.58 -46.97 95.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.953 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -62.18 -35.25 78.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 109.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.18 -47.46 79.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.916 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.8 mt -73.86 -39.78 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.922 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.7 -28.89 69.91 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.792 0.329 . . . . 0.0 111.374 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -91.34 -7.78 49.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.059 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.598 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 59.6 tttp -163.68 -108.19 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 58.1 tttm 157.7 -59.0 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.365 1.066 . . . . 0.0 109.999 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.318 -0.762 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.236 -178.632 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.708 H2D1 F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.467 0.396 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.435 ' HG3' ' HG2' ' A' ' 53' ' ' ARG . 5.3 mm-40 -82.92 -45.13 14.55 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.202 -172.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -60.96 -35.19 76.13 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -66.18 -48.17 71.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -69.8 -40.47 75.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.08 -53.11 21.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' HA ' F22D ' A' ' 201' ' ' 7BU . 16.4 ptt180 -67.22 -37.55 83.79 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.725 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.79 -44.78 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.935 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -73.32 -19.69 60.97 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.959 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -75.54 -49.25 9.34 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.81 -45.03 82.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.487 -0.357 . . . . 0.0 110.915 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.13 -42.31 99.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.374 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.18 -42.15 98.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.748 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HD2' ' A' ' 102' ' ' ARG . 87.9 t -61.74 -47.27 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.834 0.35 . . . . 0.0 110.516 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.58 HE21 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.12 -45.11 87.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.54 77.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 110.781 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 63.9 t80 -64.56 -39.35 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.247 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -62.99 -38.28 90.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.582 ' O ' HG12 ' A' ' 23' ' ' ILE . 98.5 mtt180 -63.22 -34.23 77.2 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.218 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' C ' HD11 ' A' ' 20' ' ' LEU . 3.1 tm? -58.92 -40.22 83.89 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.69 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -66.42 -42.01 88.39 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.7 -33.05 74.79 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.418 -177.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 19' ' ' ARG . 49.6 mm -78.74 -38.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.516 0.674 . . . . 0.0 109.574 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -72.69 -46.45 53.71 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.662 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.33 -26.18 68.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.152 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -92.68 0.78 57.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.428 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.56 28.25 71.03 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -86.12 79.69 9.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.471 0.636 . . . . 0.0 110.287 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.14 -32.78 64.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.34 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.26 -49.72 72.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.65 0.262 . . . . 0.0 111.379 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -74.91 -32.21 61.74 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.0 tt -59.59 -47.22 86.41 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.167 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.17 -44.21 87.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.96 -41.61 95.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 39' ' ' ILE . 73.4 t -63.85 -34.54 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.08 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.1 mt -59.28 -41.38 88.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.513 0.197 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.8 -32.88 72.92 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.627 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.26 -37.37 77.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.942 0.401 . . . . 0.0 110.015 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.5 mm -63.55 -48.78 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.336 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.24 -35.91 72.41 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.177 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.2 -45.13 89.63 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.414 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -36.45 78.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.323 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.5 mt -62.32 -48.01 90.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.632 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -63.94 -45.56 88.66 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.73 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.007 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.0 -43.94 41.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -68.41 -32.32 72.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.54 -35.24 72.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -70.19 -32.45 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.363 0.601 . . . . 0.0 109.77 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.73 -30.49 64.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.56 -23.85 56.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.9 -61.69 2.14 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.299 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG2' ' HG3' ' A' ' 2' ' ' GLU . 22.0 mmt180 -79.57 154.95 28.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.089 0.471 . . . . 0.0 111.252 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -81.26 -56.88 3.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.704 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -61.09 128.34 35.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.92 -13.24 56.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.28 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 68.92 -67.49 0.21 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.592 0.757 . . . . 0.0 111.091 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -120.27 115.43 23.57 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -85.58 -23.47 27.6 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.595 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.99 -45.38 67.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.806 0.336 . . . . 0.0 110.337 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.93 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.132 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.32 83.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.631 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.93 -29.36 66.49 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -64.39 -47.84 80.19 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.21 -37.8 86.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.474 0.178 . . . . 0.0 111.431 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -42.8 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.593 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -61.31 -40.08 92.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 0.0 110.169 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 65' ' ' GLY . 91.9 t -67.82 -40.43 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.03 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.87 -46.51 78.18 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.358 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.99 -38.6 91.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 77.9 t80 -68.86 -40.51 79.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.36 . . . . 0.0 110.577 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 21.1 tp60 -60.43 -45.81 92.3 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.2 -32.39 73.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.135 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 72' ' ' PHE . 69.3 t80 -59.44 -48.09 82.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.814 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -65.59 -37.26 86.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.75 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 46.6 mt-10 -61.14 -34.2 74.62 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.46 82.33 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.709 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.29 -43.77 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.096 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -64.23 -34.61 78.5 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -82.2 -2.89 53.77 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.376 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.78 20.42 79.77 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.594 -0.812 . . . . 0.0 113.567 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -92.97 97.6 10.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.991 0.424 . . . . 0.0 110.618 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -78.07 -28.68 48.89 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.463 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.32 -50.87 72.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.231 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 p -64.11 -28.94 70.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.119 -177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 65.4 mt -59.33 -47.88 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.657 0.265 . . . . 0.0 111.675 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.86 -44.38 73.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.94 0.4 . . . . 0.0 111.038 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.04 -30.98 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.5 mt -63.62 -43.57 96.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.88 -42.53 97.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.97 -42.32 99.8 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.869 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.16 -44.68 96.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.96 -37.73 88.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.528 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.7 mt-30 -67.95 -43.92 77.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.363 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD12 F23C ' A' ' 201' ' ' 7BU . 2.5 tp -60.84 -47.51 86.02 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -62.01 -37.56 85.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.048 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 97.2 mttt -68.62 -44.29 74.56 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.637 0.256 . . . . 0.0 111.178 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.45 HD13 F21C ' A' ' 201' ' ' 7BU . 91.4 mt -60.98 -46.72 96.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.496 ' HD2' HG23 ' A' ' 14' ' ' VAL . 8.9 mtp180 -59.08 -41.05 87.07 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.464 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.657 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 42.6 mt-10 -60.27 -46.53 89.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.907 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.92 -42.21 85.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.72 -35.5 65.1 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.27 -20.15 32.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.899 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 30.9 tttp -79.28 33.16 0.23 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.114 0.483 . . . . 0.0 110.865 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -135.82 -84.7 0.38 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.879 -0.581 . . . . 0.0 110.265 176.345 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.754 H2D1 F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.233 0.208 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -86.85 125.51 34.03 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -66.15 -24.73 66.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.031 0.443 . . . . 0.0 110.461 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.86 -34.03 77.4 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.944 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -66.83 -26.46 66.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.32 0.581 . . . . 0.0 110.0 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.09 -46.01 25.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' HA ' F21D ' A' ' 201' ' ' 7BU . 47.3 ttp180 -67.67 -37.2 82.02 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.364 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 21.8 tm0? -61.77 -47.44 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.25 -23.39 67.04 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.201 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.95 -48.87 10.67 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -57.18 -40.62 77.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.449 0.3 . . . . 0.0 110.608 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 13.8 mm-40 -61.95 -43.9 97.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.037 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.8 t -62.46 -43.74 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.299 0.571 . . . . 0.0 109.845 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.74 -45.55 85.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.449 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.14 82.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.16 -39.46 94.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.065 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -64.68 -43.95 91.9 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 76.7 ttt180 -62.63 -35.96 81.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.818 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.89 -40.96 97.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.257 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -65.66 -40.61 92.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 36.4 mt-10 -61.98 -52.48 63.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.47 -35.98 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.48 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.7 -47.97 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.708 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -64.56 -21.23 66.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.394 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 74.8 mmtt -88.66 -9.59 51.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.035 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 28.43 57.06 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.405 -0.426 . . . . 0.0 113.419 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -95.72 90.43 5.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.334 0.567 . . . . 0.0 111.604 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.15 -32.4 64.24 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -67.69 -48.27 67.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.742 0.306 . . . . 0.0 111.397 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -72.48 -30.34 64.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.917 0.389 . . . . 0.0 109.971 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.4 tp -60.05 -40.18 88.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.274 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.83 -40.1 87.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.3 0.571 . . . . 0.0 110.184 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -69.26 -45.32 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.056 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.9 t -66.3 -35.12 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 111.033 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -60.85 -33.9 73.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.721 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.27 -38.31 75.05 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 7.6 mm-40 -62.58 -44.74 95.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.476 ' O ' HG13 ' A' ' 43' ' ' ILE . 81.1 mt -63.62 -47.93 89.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.087 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.06 -37.36 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.633 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.32 -44.96 86.14 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.261 0.553 . . . . 0.0 110.248 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.2 mt -69.76 -36.6 75.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.754 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.6 mt -61.46 -47.65 92.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.579 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.572 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 83.3 mm-40 -65.47 -45.76 82.46 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.49 -34.45 75.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -76.6 -43.95 36.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.163 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -66.72 -30.93 71.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.273 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.8 mt-30 -57.65 -37.4 73.3 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.699 0.285 . . . . 0.0 110.839 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.47 -33.64 76.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.23 0.538 . . . . 0.0 110.233 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -75.32 -34.25 61.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.86 -26.98 60.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.515 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -49.7 -53.31 25.35 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.567 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -174.62 34.6 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 73.95 -57.78 0.61 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.419 0.688 . . . . 0.0 112.038 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 70.21 -52.79 0.64 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.789 0.835 . . . . 0.0 111.866 -177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.449 ' HB3' F23A ' A' ' 201' ' ' 7BU . . . -97.33 119.39 35.76 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.99 54.68 1.34 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -143.04 121.74 12.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.801 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 m -87.05 -33.56 19.48 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.72 -37.24 84.29 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.288 -0.565 . . . . 0.0 112.009 -175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.05 83.76 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.056 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' HB2' F22A ' A' ' 201' ' ' 7BU . . . -67.79 -35.23 78.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.403 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.467 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.19 -41.01 86.57 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.01 -40.3 98.29 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -44.57 94.86 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.726 0.298 . . . . 0.0 110.451 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.45 -39.84 95.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.2 -38.16 82.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.985 0.421 . . . . 0.0 110.242 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 93.3 t -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.455 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.84 -39.76 83.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.336 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.3 -39.86 94.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.825 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -63.2 -39.15 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.325 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.33 -42.26 98.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.189 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -68.23 -35.16 77.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.144 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.2 -48.09 81.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.616 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -58.75 -39.43 80.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.28 -36.23 82.44 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.145 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.49 -31.36 69.59 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.592 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.61 -37.58 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.71 -32.48 72.32 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.726 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.46 -11.58 58.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.787 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.34 26.2 73.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.051 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -93.17 100.26 12.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.052 0.453 . . . . 0.0 110.218 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -69.44 -31.54 69.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -175.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.8 m-20 -64.82 -51.13 63.76 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.192 -176.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 p -65.72 -31.53 72.57 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.82 -48.04 83.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.277 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 85' ' ' ASP . 76.4 mm-40 -68.35 -45.24 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.945 0.402 . . . . 0.0 111.196 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.27 -37.43 77.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.17 -42.83 99.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.56 -42.53 98.33 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.209 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.98 -40.18 94.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.187 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.1 mt -60.78 -45.59 93.78 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.51 -44.98 95.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.549 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tt0 -68.18 -42.91 79.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.896 0.379 . . . . 0.0 111.091 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.7 -41.1 84.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.134 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.553 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.2 tt -61.32 -46.91 88.31 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.336 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.86 -35.65 80.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.319 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 65.5 mttm -71.47 -40.62 70.16 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.177 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.435 HD13 F21C ' A' ' 201' ' ' 7BU . 96.3 mt -61.55 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -58.21 -37.14 74.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.957 0.408 . . . . 0.0 111.056 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.1 -46.11 78.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.808 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.658 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 64.4 mt -73.63 -42.44 61.44 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.565 ' HB2' ' C2D' ' A' ' 201' ' ' 7BU . . . -62.63 -33.12 74.37 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -88.74 0.08 56.82 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.772 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -176.46 99.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.658 ' HB2' ' O ' ' A' ' 104' ' ' LEU . 25.2 tptp -141.37 119.16 11.77 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -174.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 53.5 t30 . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 174.297 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.743 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.028 0.442 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -46.05 4.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.559 -177.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -65.71 -32.99 74.85 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 11.0 mm-40 -66.77 -48.14 70.01 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.183 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -64.49 -42.29 95.95 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.58 -51.13 39.33 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.139 172.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.647 ' HA ' F22D ' A' ' 201' ' ' 7BU . 35.8 ttp85 -63.59 -44.1 95.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 76.6 mm-40 -60.78 -43.52 97.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p -68.65 -20.18 64.44 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -72.84 -44.39 38.12 Favored Glycine 0 N--CA 1.438 -1.218 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.539 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 6.8 m-20 -57.13 -42.71 81.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.077 -0.561 . . . . 0.0 110.857 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.03 -43.56 98.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.13 -41.33 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 96.6 t -63.05 -44.34 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.26 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 95.7 mt-30 -57.5 -44.57 85.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.414 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.31 81.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.797 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.72 -39.16 90.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.476 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 95.9 mt-30 -64.02 -37.22 86.64 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.175 0.512 . . . . 0.0 109.783 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -69.34 -36.02 76.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.382 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.31 -43.57 98.52 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.971 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.4 mmm180 -63.49 -46.71 84.9 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.769 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.05 -52.53 64.55 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.851 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 HG21 ' HB3' ' A' ' 28' ' ' ASP . 77.2 mt -60.99 -36.51 72.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.058 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -68.79 -47.93 64.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 109.839 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.08 -23.66 66.64 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.462 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -90.37 1.73 56.29 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.873 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.63 56.62 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 114.367 0.507 . . . . 0.0 114.367 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.464 ' HB3' HG21 ' A' ' 23' ' ' ILE . 9.9 t0 -91.14 83.19 5.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.482 0.641 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.76 -34.67 67.8 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.404 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.07 -49.52 69.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.5 t -74.39 -30.4 61.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.871 0.367 . . . . 0.0 110.342 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.689 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -60.26 -42.43 95.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.563 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' HA ' HD11 ' A' ' 36' ' ' LEU . 44.7 mt-10 -62.72 -40.78 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.308 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.3 -41.0 98.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.382 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG22 HD12 ' A' ' 23' ' ' ILE . 80.1 t -70.09 -33.21 54.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.403 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.0 mt -59.02 -40.42 84.93 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.9 tt0 -65.57 -38.93 90.97 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.945 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.5 -41.84 99.09 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 43' ' ' ILE . 77.4 mt -63.37 -47.83 90.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.372 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.87 -41.21 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.65 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 49.1 mt-10 -63.3 -44.22 95.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.665 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.26 -36.21 83.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.356 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 39' ' ' ILE . 83.0 mt -62.22 -47.26 93.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.127 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -64.93 -45.66 84.88 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.174 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.49 -33.89 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.808 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -76.23 -43.0 44.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.063 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -68.04 -37.11 80.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.668 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.87 -31.87 68.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.3 -32.46 70.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -77.71 -31.16 52.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.703 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.53 -37.94 41.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.063 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -81.08 6.98 12.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -126.12 -176.61 3.69 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.239 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -78.18 164.51 24.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.356 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.3 117.31 11.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.223 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.87 154.9 35.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.46 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.51 22.78 0.55 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.251 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.19 95.52 4.84 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -85.68 -37.79 19.04 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.973 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -60.96 -45.45 94.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.2 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.91 97.53 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.358 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 110.771 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -64.68 -45.28 87.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.49 -28.97 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.012 0.434 . . . . 0.0 110.424 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -64.93 -46.88 88.03 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -65.34 -36.32 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.442 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.6 -41.3 98.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.723 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.56 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.949 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.608 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 71.9 t -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.395 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.443 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 64.8 tt0 -66.44 -43.99 84.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.569 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.15 -37.01 81.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.9 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.79 -37.05 83.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.19 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.608 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.7 mt-30 -59.57 -43.55 93.59 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 70' ' ' GLN . 10.1 mpt_? -65.81 -39.87 91.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.126 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.34 -48.28 82.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.841 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -61.5 -43.28 99.15 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.26 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.14 -38.54 91.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.86 87.87 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.06 -41.95 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.596 0.236 . . . . 0.0 111.086 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.52 -32.66 74.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.942 0.401 . . . . 0.0 110.696 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -84.46 -0.41 52.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.869 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.61 15.45 70.91 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.138 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.596 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 16.1 t0 -83.47 94.28 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.219 0.533 . . . . 0.0 110.558 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -31.46 57.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.334 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.474 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -67.43 -30.68 70.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.477 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 78.6 mt -59.08 -46.69 87.64 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.459 -176.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.12 -46.24 85.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 110.731 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 11.3 mm100 -68.69 -46.84 67.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.491 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.76 -32.56 72.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -67.69 -40.9 84.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.792 0.33 . . . . 0.0 110.454 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 56.9 mm-40 -64.14 -38.15 90.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 68.0 mm-40 -62.06 -41.23 97.92 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.09 -46.55 86.87 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.714 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 31.6 tt0 -61.47 -46.82 88.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.354 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 97.0 mt-30 -63.67 -38.99 93.2 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.88 0.371 . . . . 0.0 111.153 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.69 76.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.247 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.77 -41.76 98.12 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.06 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.714 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.6 mm-40 -60.66 -41.55 95.23 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 74.3 mmtt -67.27 -44.41 79.41 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.648 0.261 . . . . 0.0 111.309 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.421 HD13 F21C ' A' ' 201' ' ' 7BU . 87.0 mt -61.76 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -59.09 -43.25 91.81 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.877 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 21.1 mm-40 -60.14 -43.12 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.233 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.28 -40.11 71.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.571 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.5 -30.65 68.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.879 0.371 . . . . 0.0 111.424 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -85.34 -29.44 24.48 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.625 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -159.2 102.39 1.6 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.623 0.369 . . . . 0.0 110.477 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -77.8 141.02 39.46 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.471 -175.567 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.705 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.313 0.577 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -168.98 -31.9 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.184 -178.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.01 -33.64 76.21 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -33.64 61.11 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.75 -26.76 67.14 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.061 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 96.7 mt -77.6 -44.63 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.471 ' HA ' F21D ' A' ' 201' ' ' 7BU . 60.2 ttm-85 -68.48 -34.63 76.27 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.316 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 34.7 tt0 -65.74 -35.77 81.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.764 0.316 . . . . 0.0 110.645 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.5 p -85.19 -19.78 31.19 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.21 0.529 . . . . 0.0 109.949 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.37 -44.71 10.75 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -55.07 -46.63 75.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 122.55 0.34 . . . . 0.0 110.816 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 42.1 mm-40 -61.82 -44.99 95.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.422 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.25 -48.25 82.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.265 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.57 -48.31 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.58 -46.46 86.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.04 -36.06 77.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.63 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 84.8 t80 -66.13 -39.85 90.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.07 0.462 . . . . 0.0 110.322 178.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -64.2 -43.77 94.0 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 23' ' ' ILE . 31.5 tpt180 -64.08 -34.74 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.008 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 50.9 tp -59.13 -39.08 81.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.85 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.1 ttp180 -67.84 -35.89 79.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.307 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.52 -30.17 70.89 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.223 0.535 . . . . 0.0 110.414 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 19' ' ' ARG . 79.0 mt -75.91 -34.42 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -69.6 -37.23 76.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.784 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.06 -32.94 71.41 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.959 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -87.61 -7.44 57.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.928 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.2 29.37 68.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.601 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -85.3 80.41 9.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.162 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 m-20 -56.3 -28.73 59.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.799 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.48 -50.37 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.03 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -75.23 -32.25 61.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -59.91 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.479 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 45.2 mt-10 -57.29 -46.25 83.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.79 0.329 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -67.01 -41.61 86.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.133 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.3 t -71.42 -36.24 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.4 mt -59.53 -38.86 82.13 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.527 0.203 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.4 mt-10 -64.68 -44.73 89.39 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.571 177.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 14.3 tp10 -62.2 -41.76 98.66 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.59 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 35' ' ' VAL . 41.3 mm -60.06 -49.18 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.5 tt0 -58.12 -39.33 78.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 46.4 mt-10 -70.4 -35.14 73.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.5 mt -65.25 -36.97 85.77 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.7 mt -60.86 -43.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.297 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 73.9 mm-40 -64.51 -44.45 90.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 89.3 mttt -62.16 -39.0 91.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -76.39 -44.6 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -63.0 -36.61 84.12 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.95 -32.75 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.533 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.6 -33.1 64.44 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -72.07 -30.2 64.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.192 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.27 -20.79 63.03 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -97.36 -74.9 0.56 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.547 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -90.7 121.14 32.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -93.38 -89.57 0.21 Allowed 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.594 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.85 48.05 12.05 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.199 0.523 . . . . 0.0 112.36 -178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.516 ' HA ' F23A ' A' ' 201' ' ' 7BU . . . -73.87 -24.03 59.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.77 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 71.19 -54.57 0.67 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.632 0.773 . . . . 0.0 111.255 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.45 120.63 40.19 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 p -65.91 -28.78 69.19 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -69.16 -33.35 73.26 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.659 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.81 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.42 96.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.488 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.99 -33.53 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.797 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -63.94 -39.99 95.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -61.74 -43.49 99.17 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.95 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.7 -40.57 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.981 0.42 . . . . 0.0 110.775 176.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.63 -37.64 82.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.693 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -62.54 -39.18 92.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 65' ' ' GLY . 73.6 t -65.29 -38.58 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.42 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -65.37 -45.17 85.17 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.082 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.87 91.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.389 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.4 -43.07 95.6 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.779 0.323 . . . . 0.0 110.221 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -64.85 -35.59 81.61 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -40.97 91.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.45 -47.84 80.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.171 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -63.57 -40.36 96.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.272 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 81' ' ' LYS . 7.8 tp10 -63.15 -34.38 77.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.536 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.21 96.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.946 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 mm -60.39 -41.45 87.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 110.349 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.52 -37.14 86.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 77' ' ' GLU . 67.0 mttm -83.4 -7.45 59.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.797 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.8 25.38 75.23 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.605 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.42 96.46 10.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 -176.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -72.51 -32.16 65.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -58.82 -48.4 81.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.208 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.1 m -69.14 -29.81 67.92 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 91.7 mt -59.68 -48.21 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -175.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.05 -46.66 87.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 111.273 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.03 -46.19 65.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.943 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.32 -34.41 76.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.761 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.36 -41.88 97.79 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 109.841 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -44.93 91.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.836 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.83 -36.87 82.44 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.914 0.388 . . . . 0.0 110.738 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.57 -45.21 95.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.873 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 30.2 mt-10 -61.83 -46.2 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -67.92 -35.78 79.03 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.489 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -68.63 -43.18 76.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.004 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.63 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.3 tt -61.18 -45.0 96.39 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.367 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 93.0 mt-30 -60.45 -39.36 87.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.959 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.09 -40.04 71.78 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 97' ' ' ALA . 92.6 mt -59.77 -47.79 90.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.912 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -58.98 -45.0 91.67 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.75 -44.92 92.07 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.556 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.29 -43.32 95.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.66 -32.07 70.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.17 2.3 48.32 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.3 0.571 . . . . 0.0 110.383 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt 55.85 66.6 1.17 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.741 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.4 tptm 65.79 1.6 1.87 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.556 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.394 -0.812 . . . . 0.0 110.762 179.634 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.695 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.506 ' HB3' ' OE2' ' A' ' 4' ' ' GLU . 25.4 m . . . . . 0 N--CA 1.467 0.403 0 CA-C-O 121.108 0.48 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.409 ' HG3' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -134.93 -26.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.553 -178.444 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -57.58 -26.56 61.66 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 1.8 mp0 -60.71 -49.28 78.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -64.68 -42.0 95.66 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.138 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.404 HD21 HD12 ' A' ' 49' ' ' LEU . 3.6 mm? -49.17 -53.71 19.79 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.562 ' HA ' F22D ' A' ' 201' ' ' 7BU . 6.4 tpt180 -63.02 -45.63 91.44 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.119 177.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 12.8 mm100 -60.8 -46.5 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.3 p -65.35 -26.36 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -70.67 -52.19 16.81 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.511 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 26.9 m-20 -55.4 -44.9 76.59 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.021 176.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 37.8 mt-10 -61.68 -41.5 97.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.545 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.85 -42.73 98.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 10' ' ' GLY . 73.0 t -61.31 -44.24 98.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.286 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -57.28 -45.59 83.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.32 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.21 82.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.36 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 91.5 t80 -65.36 -43.77 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.301 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.19 -41.38 94.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.048 0.451 . . . . 0.0 109.787 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' HG12 ' A' ' 23' ' ' ILE . 52.5 ttt180 -63.14 -35.21 79.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.884 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD22 ' CE2' ' A' ' 75' ' ' PHE . 47.6 tp -59.68 -41.08 89.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.304 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -67.04 -36.74 82.74 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.932 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 50.9 mt-10 -68.46 -30.06 68.84 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.686 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 19' ' ' ARG . 40.4 mm -73.81 -34.83 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -69.99 -37.65 75.79 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.824 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.509 ' OD2' ' HA ' ' A' ' 22' ' ' GLU . 69.3 m-20 -61.4 -32.66 72.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.299 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 71.9 mmtt -89.01 -5.29 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.418 -175.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.94 65.87 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.825 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.27 103.1 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.463 0.649 . . . . 0.0 109.67 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.8 -42.41 60.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.446 -172.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.78 -34.98 72.36 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.566 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -70.04 -29.85 66.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.367 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.04 -41.48 83.31 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.556 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.08 -38.85 90.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.094 0.473 . . . . 0.0 110.065 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.71 -41.19 68.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.954 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.497 HG23 HG13 ' A' ' 23' ' ' ILE . 72.0 t -72.14 -45.56 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 55.0 mt -61.0 -35.94 78.16 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.435 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.4 tt0 -64.39 -45.27 88.41 Favored 'General case' 0 N--CA 1.428 -1.532 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.028 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.95 -37.41 87.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.961 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 35' ' ' VAL . 78.2 mt -63.54 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.542 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.2 mt-10 -57.21 -37.92 72.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.338 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 45.4 mt-10 -63.19 -45.59 91.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.066 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.09 -38.6 79.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.987 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.6 mt -63.35 -46.97 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.42 -44.16 88.24 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 98.5 mttt -61.02 -34.73 75.3 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 177.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -76.81 -41.22 45.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.864 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.535 ' HG3' F23B ' A' ' 201' ' ' 7BU . 25.4 ttp180 -69.59 -36.53 76.33 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.389 178.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -58.46 -30.43 66.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.834 0.35 . . . . 0.0 111.317 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.404 HD12 HD21 ' A' ' 6' ' ' LEU . 59.3 mt -63.48 -33.27 75.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.485 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.89 -30.63 40.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.678 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -68.0 -40.03 83.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.782 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.35 -59.42 5.48 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.282 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 10.7 ptm180 -122.95 106.82 11.18 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 120.996 0.427 . . . . 0.0 111.07 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -69.14 160.34 31.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.27 70.91 0.6 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.097 0.475 . . . . 0.0 110.775 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HB3' F21A ' A' ' 201' ' ' 7BU . . . -81.23 -49.96 10.14 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.96 -120.37 0.13 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.03 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.46 163.25 14.72 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p -86.4 -19.27 29.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.756 0.312 . . . . 0.0 111.457 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 41.5 tt0 -63.74 -45.45 89.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.123 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.39 -37.38 83.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.27 66.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.733 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.08 -42.62 80.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.7 mm100 -65.68 -42.8 90.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.938 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -62.59 -35.53 91.96 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.663 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.61 -42.62 97.16 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.979 0.418 . . . . 0.0 110.635 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.556 ' O ' HD11 ' A' ' 71' ' ' LEU . 65.7 mt-30 -62.45 -43.13 99.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.082 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -61.25 -38.09 85.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.62 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -65.46 -40.32 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.512 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.04 -37.08 80.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.187 0.517 . . . . 0.0 110.565 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.556 HD11 ' O ' ' A' ' 67' ' ' GLN . 7.6 mp -69.08 -42.67 75.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -67.05 -40.2 87.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.603 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 6.3 tp-100 -63.76 -36.83 85.17 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -63.91 -39.31 93.88 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.184 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.51 ' CE2' HD12 ' A' ' 79' ' ' ILE . 86.6 t80 -60.17 -45.15 94.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.822 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -58.69 -44.65 90.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 40.8 mt-10 -62.73 -35.65 80.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.088 0.47 . . . . 0.0 110.145 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.89 69.81 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.481 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.51 HD12 ' CE2' ' A' ' 75' ' ' PHE . 59.7 mt -74.11 -41.09 51.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.409 0.623 . . . . 0.0 109.418 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.96 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.578 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -89.63 -1.64 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.71 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.25 26.7 74.06 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.408 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.617 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.6 t70 -93.05 97.2 10.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.123 0.487 . . . . 0.0 110.04 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.15 -27.99 59.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.031 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.98 -50.36 73.71 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.116 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.2 m -67.52 -30.61 70.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.566 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 84.7 mt -59.18 -47.42 85.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.547 0.213 . . . . 0.0 111.204 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -64.82 -36.97 86.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -67.72 -45.5 74.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.12 -31.36 70.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.463 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 57.6 mt -65.27 -38.54 90.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.889 0.376 . . . . 0.0 110.028 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.49 -47.03 85.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.919 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.477 ' OE1' ' HG ' ' A' ' 71' ' ' LEU . 8.5 pt-20 -72.92 -33.63 66.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.759 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.21 -47.23 77.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.716 0.293 . . . . 0.0 110.775 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.56 -46.06 91.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.582 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.04 -39.5 90.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.82 0.343 . . . . 0.0 111.256 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.75 -45.22 68.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' HG ' F22C ' A' ' 201' ' ' 7BU . 9.3 tt -61.72 -45.37 94.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.19 -40.65 94.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.14 -41.13 82.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.533 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 97' ' ' ALA . 97.1 mt -61.93 -46.8 95.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.07 -40.34 89.18 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.516 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.68 -42.97 98.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.46 -44.14 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.957 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.45 62.79 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -175.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -82.61 -24.61 33.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.736 0.303 . . . . 0.0 110.525 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -72.99 -65.31 0.82 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.199 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -52.22 106.01 0.14 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.433 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--N 1.312 -1.037 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.852 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.704 ' C3A' F23B ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.414 ' H1 ' ' CD ' ' A' ' 4' ' ' GLU . 49.9 m . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 120.608 0.242 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -133.23 -62.07 0.8 Allowed 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.569 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.28 -40.95 94.56 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.734 0.302 . . . . 0.0 111.752 -176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.691 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -60.99 -53.42 57.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.112 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.55 -26.01 68.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.55 -54.44 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.857 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.577 ' HA ' F22D ' A' ' 201' ' ' 7BU . 37.1 ttt180 -63.91 -39.73 94.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.733 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 63.3 mm-40 -60.03 -46.39 89.67 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.942 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -65.66 -29.0 69.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 111.486 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -71.43 -51.76 15.61 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 24.1 m-20 -58.5 -42.43 87.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.197 . . . . 0.0 111.393 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 59.3 mm-40 -61.55 -40.43 94.68 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.989 0.423 . . . . 0.0 109.96 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.18 -43.48 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.648 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 10' ' ' GLY . 81.3 t -60.17 -43.27 92.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.377 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 73.7 mt-30 -58.11 -45.66 86.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.343 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.17 93.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.848 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.25 -41.53 99.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.62 -32.93 73.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -70.4 -35.52 73.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.8 -45.88 90.94 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.307 -177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.529 ' HG2' ' OD2' ' A' ' 25' ' ' ASP . 60.1 ttt180 -66.59 -39.47 88.43 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 119.831 -0.747 . . . . 0.0 111.83 -178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.2 -50.86 71.42 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -55.66 -36.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -67.91 -47.44 68.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.788 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.529 ' OD2' ' HG2' ' A' ' 21' ' ' ARG . 63.6 m-20 -62.82 -22.1 66.39 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.44 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -93.69 -1.66 54.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.017 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.32 27.96 58.54 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 113.938 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.54 81.06 3.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.616 0.722 . . . . 0.0 111.569 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.83 -26.79 59.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.726 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 13.2 m-20 -64.68 -49.56 70.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.723 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 t -75.63 -31.59 59.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.87 0.367 . . . . 0.0 110.421 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.577 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.5 tp -60.03 -46.64 88.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.611 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 15.6 pt-20 -60.21 -40.25 89.46 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.023 0.439 . . . . 0.0 110.802 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -65.45 -40.98 93.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.439 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 39' ' ' ILE . 65.7 t -67.79 -33.73 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.97 -37.4 79.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.383 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.3 -37.04 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.924 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 28.7 mm-40 -66.82 -45.32 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.023 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.501 ' O ' HG13 ' A' ' 43' ' ' ILE . 68.7 mt -61.79 -48.32 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.6 mt-10 -60.98 -36.72 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.671 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.81 -39.09 87.6 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.984 0.421 . . . . 0.0 110.658 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 99.2 mt -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.355 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.9 mt -61.57 -44.58 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.265 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.61 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 13.8 mm100 -62.56 -47.17 85.04 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.214 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.0 -35.19 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.211 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -75.94 -43.72 43.5 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.044 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -65.83 -36.29 83.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.771 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 15.1 mm100 -58.36 -30.65 66.92 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 61.6 mt -70.63 -29.65 66.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.079 0.466 . . . . 0.0 110.254 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.45 -29.84 52.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -65.46 -25.97 67.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 49' ' ' LEU . 86.2 m-20 -71.37 -67.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.631 174.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -98.89 103.51 15.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.788 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -70.11 158.13 36.31 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 67.41 -53.34 0.48 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.652 0.781 . . . . 0.0 112.597 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 58' ' ' ASP . . . 59.86 34.22 21.73 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.154 0.582 . . . . 0.0 112.016 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 72.81 -31.34 0.22 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.901 0.88 . . . . 0.0 112.559 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 56' ' ' ALA . 9.4 t70 -129.15 113.01 14.55 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.9 m -85.69 -23.68 27.31 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.924 0.392 . . . . 0.0 110.8 -177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.87 -42.09 73.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.007 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.8 -37.67 76.37 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.332 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 88.2 tttt -70.06 -39.18 75.83 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.096 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -65.65 -39.89 91.88 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -62.49 -34.69 90.18 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.997 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.69 -40.52 97.38 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.139 0.495 . . . . 0.0 109.723 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.634 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 mm-40 -65.34 -42.11 93.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.261 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.38 -38.22 83.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.093 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 65' ' ' GLY . 92.9 t -67.17 -37.9 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.592 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.12 -43.18 78.97 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.476 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 69.8 mt -60.99 -40.14 92.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.716 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.78 -38.33 86.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.79 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 56.1 mt-30 -66.36 -35.88 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.022 0.439 . . . . 0.0 110.131 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.44 -38.17 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.597 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.83 -49.22 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.36 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' HD13 ' A' ' 36' ' ' LEU . 28.0 ttt180 -65.98 -35.88 81.78 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.085 177.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.54 -37.19 82.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.34 88.15 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.898 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.1 -42.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 120.612 0.244 . . . . 0.0 110.904 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -64.0 -35.86 82.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.1 3.14 52.8 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.437 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.25 13.36 70.29 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 121.104 -0.57 . . . . 0.0 114.146 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.5 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -80.67 96.36 6.87 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.052 0.453 . . . . 0.0 110.419 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -74.58 -34.84 62.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.03 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.27 -48.4 78.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.875 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -65.91 -29.63 70.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.898 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.8 mt -59.34 -47.46 85.32 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.454 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.22 -46.37 85.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 111.401 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.59 -45.42 75.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.52 -33.46 74.17 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.419 HD23 ' HG3' ' A' ' 21' ' ' ARG . 54.6 tp -62.85 -44.79 95.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.11 -38.6 91.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.36 -38.39 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.988 0.423 . . . . 0.0 110.124 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.64 -43.58 98.58 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 11.5 tp10 -60.53 -45.05 95.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.925 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.68 -42.89 97.96 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 111.206 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.77 -39.08 73.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.036 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.568 ' HG ' F22C ' A' ' 201' ' ' 7BU . 10.0 tt -61.77 -47.06 86.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.857 0.36 . . . . 0.0 110.286 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 84.6 mm-40 -62.51 -32.92 73.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.504 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -70.73 -43.06 69.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.203 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.471 HD13 F21C ' A' ' 201' ' ' 7BU . 93.3 mt -60.63 -44.64 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.469 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.23 -44.07 83.47 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.223 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.0 -47.18 78.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.453 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.45 -42.68 82.7 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.87 -29.19 62.99 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -95.79 -21.35 18.18 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.499 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm 59.43 -84.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.499 0.72 . . . . 0.0 112.647 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -114.35 173.14 6.6 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.1 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.6 m120 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.028 -0.987 . . . . 0.0 111.779 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.72 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.513 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 22.4 t . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.936 0.398 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.9 mp0 -52.03 -59.16 4.67 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.389 0.676 . . . . 0.0 111.89 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -62.08 -25.85 67.93 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.513 ' OE1' ' HA ' ' A' ' 1' ' ' SER . 41.5 mt-10 -73.07 -37.04 66.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.125 0.488 . . . . 0.0 109.818 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.88 -25.76 62.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.315 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.98 -45.51 20.16 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.59 ' HA ' F22D ' A' ' 201' ' ' 7BU . 25.8 ttm-85 -67.18 -40.59 86.57 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.641 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.08 -47.4 84.85 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.928 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 46' ' ' HIS . 18.5 p -65.5 -21.08 66.59 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.019 0.438 . . . . 0.0 111.456 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.04 -48.72 8.14 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -56.42 -41.46 76.43 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 122.595 0.358 . . . . 0.0 110.417 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.71 -47.5 85.98 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.333 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.72 -45.77 92.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.67 -48.36 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.198 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.81 -38.76 79.33 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 111.639 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.32 72.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.839 0.352 . . . . 0.0 110.74 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -67.23 -43.45 81.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.52 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.17 -38.33 90.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 109.935 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -69.35 -34.91 75.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.267 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.12 -41.15 92.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.179 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HG3' HD23 ' A' ' 91' ' ' LEU . 67.8 ttt180 -68.34 -40.18 81.65 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.32 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 32.5 mm-40 -60.82 -50.7 72.39 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.91 -33.91 51.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.09 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.28 -47.69 67.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.618 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.5 -23.66 66.95 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.767 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 68.9 mttm -83.42 -4.75 58.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.33 28.17 64.15 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 114.34 0.496 . . . . 0.0 114.34 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.04 85.09 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.477 0.639 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -56.1 -30.96 62.8 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.649 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -66.25 -49.93 65.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.3 t -73.77 -35.27 64.95 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.16 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.83 -43.44 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.958 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.45 -43.8 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.19 -37.1 83.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 31' ' ' SER . 64.1 t -70.24 -34.25 57.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.459 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 94.3 mt -60.63 -36.53 78.86 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.17 -41.99 96.89 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.259 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.1 mm-40 -64.09 -44.68 91.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 43' ' ' ILE . 38.7 mm -61.97 -49.27 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.098 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 44.7 mt-10 -57.81 -41.24 81.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.879 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -41.12 75.66 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.097 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.4 mt -65.11 -35.75 82.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.773 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.9 mt -62.48 -46.73 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 71.5 mm-40 -62.78 -46.39 88.22 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.616 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.121 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 9' ' ' THR . 83.4 t60 -76.84 -42.48 40.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -65.68 -35.82 81.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.203 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.641 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 99.3 mt-30 -58.14 -34.73 70.58 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.096 0.474 . . . . 0.0 111.379 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.47 -32.72 73.76 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.26 0.552 . . . . 0.0 110.061 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 54' ' ' GLN . 78.5 t80 -74.49 -30.53 61.87 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.38 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD2' ' HA ' ' A' ' 48' ' ' GLN . 38.4 m-20 -65.04 -37.69 88.41 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.221 0.534 . . . . 0.0 110.075 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -77.16 -83.66 0.07 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.829 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 59.6 ttt180 -97.53 -15.83 20.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 53' ' ' ARG . 97.2 mt-30 72.75 -68.87 0.21 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.8 0.44 . . . . 0.0 112.132 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 50.59 49.5 20.71 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.666 -175.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 109.73 2.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.22 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -74.42 -20.57 59.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.428 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -165.72 139.97 4.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.569 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -72.66 -35.48 67.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 32.9 tt0 -69.9 -33.74 72.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.072 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.12 99.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -38.45 88.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.08 97.49 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.554 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.3 mt-30 -67.41 -35.3 79.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.49 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -60.78 -47.36 91.61 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.862 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.24 -43.3 92.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.022 0.439 . . . . 0.0 110.53 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.73 -42.9 99.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.633 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.94 -39.38 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 92.2 t -65.75 -43.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.805 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 46.8 mt-30 -63.5 -42.75 98.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.85 -39.75 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.38 -39.04 85.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 97.0 mt-30 -59.71 -44.68 93.61 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -63.88 -39.18 93.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.077 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.99 -48.88 72.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -61.09 -46.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.899 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.8 tt0 -61.02 -35.76 77.72 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.58 69.05 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.851 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.3 mt -73.4 -38.87 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -66.43 -35.51 80.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 34.8 mmtp -85.12 -5.25 59.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.672 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.22 25.32 74.63 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.196 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.611 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -90.29 98.74 11.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.901 0.382 . . . . 0.0 110.408 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -74.91 -25.7 59.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.319 -176.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.53 -49.63 74.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 m -67.12 -33.3 75.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.023 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 90.2 mt -61.95 -48.4 80.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.18 -48.07 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.751 0.31 . . . . 0.0 111.828 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.07 -43.99 73.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.89 -35.59 78.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.407 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.413 HD23 ' HG3' ' A' ' 21' ' ' ARG . 51.1 tp -61.61 -45.15 95.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 110.621 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.09 -38.74 86.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.5 -36.21 76.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.134 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.12 -44.53 95.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.196 0.522 . . . . 0.0 109.942 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 5.2 tm-20 -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.191 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tp60 -69.86 -38.55 76.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.133 0.492 . . . . 0.0 110.598 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.43 -32.24 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.216 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' HG ' F22C ' A' ' 201' ' ' 7BU . 10.2 tt -68.64 -39.51 80.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.9 mm-40 -63.0 -30.13 71.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.274 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 99.3 mttt -71.92 -44.21 64.04 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 110.471 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.487 HD11 F21C ' A' ' 201' ' ' 7BU . 84.0 mt -67.72 -44.98 85.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.412 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -59.26 -38.15 79.35 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.251 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.44 -46.3 90.54 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.347 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 68.9 mt -67.43 -38.29 84.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.787 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.82 -28.19 62.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.008 0.432 . . . . 0.0 111.304 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -90.38 -17.98 26.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.745 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -84.27 -23.2 30.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.32 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 104' ' ' LEU . 19.7 ptmt -131.25 138.1 49.17 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.681 -0.637 . . . . 0.0 110.094 -175.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 . . . . . 0 C--O 1.253 1.262 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.739 -179.299 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.714 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -46.67 127.49 9.63 Favored 'General case' 0 C--O 1.243 0.722 0 O-C-N 123.64 0.587 . . . . 0.0 111.93 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -67.53 -19.22 65.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.003 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 42.2 mt-10 -66.55 -48.51 69.43 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.629 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.23 -47.42 76.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.42 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -47.75 -45.38 29.0 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.515 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.561 ' HA ' F22D ' A' ' 201' ' ' 7BU . 65.3 mtt180 -67.24 -44.57 79.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.703 0.287 . . . . 0.0 111.361 177.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 98.7 mt-30 -64.35 -30.21 71.26 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -83.25 -17.94 40.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.88 -41.35 12.66 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.22 -40.49 81.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.493 -0.354 . . . . 0.0 110.739 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 11.5 mm-40 -63.4 -46.94 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.349 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.26 -42.61 98.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.054 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.97 -46.48 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.578 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -58.01 -45.34 87.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.589 178.625 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.28 -36.22 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.527 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 83.4 t80 -64.49 -39.03 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.093 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.243 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 34.6 mmt180 -64.31 -34.14 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.831 177.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 35.8 tp -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.015 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 4.8 mmm180 -66.0 -44.97 83.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.04 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 8.1 mm-40 -60.09 -53.54 56.54 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -175.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 28' ' ' ASP . 90.4 mt -61.34 -37.36 77.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.395 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -70.26 -48.33 57.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.892 0.377 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -62.06 -24.96 67.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.183 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 56.8 mttm -91.36 4.48 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.389 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.26 28.61 61.89 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 114.648 0.619 . . . . 0.0 114.648 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.486 ' HB3' HG23 ' A' ' 23' ' ' ILE . 16.6 t0 -87.43 82.23 7.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.602 0.701 . . . . 0.0 110.185 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.84 -34.29 65.28 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.57 -48.39 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.69 0.281 . . . . 0.0 111.597 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -74.03 -31.32 62.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.037 0.446 . . . . 0.0 110.23 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.6 tp -60.63 -42.49 97.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.049 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.99 -40.97 86.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.071 0.462 . . . . 0.0 110.472 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.63 -45.07 95.42 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.116 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.556 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.2 t -68.03 -36.9 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.577 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.4 mt -60.03 -40.61 89.94 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 110.633 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -66.58 -38.52 87.24 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.443 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.0 tt0 -67.33 -39.32 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.185 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.562 ' O ' HG13 ' A' ' 43' ' ' ILE . 46.8 mm -59.17 -47.41 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 44.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.343 178.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.45 -36.53 73.99 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 90.8 mt -68.09 -36.36 79.66 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.221 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -60.7 -42.49 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.652 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 94.1 mt-30 -62.99 -47.6 82.46 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -64.01 -35.21 79.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 111.753 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.73 -44.21 34.22 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.413 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -70.54 -39.95 73.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 73.9 mm-40 -59.87 -32.39 70.67 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.6 -30.29 71.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.347 0.594 . . . . 0.0 110.133 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.48 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 83.3 t80 -78.93 -33.98 44.96 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.33 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -80.69 -39.3 27.42 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -53.28 -59.56 4.41 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.947 -178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -161.98 161.66 28.65 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.208 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 59.03 69.22 0.74 Allowed 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.635 0.584 . . . . 0.0 111.516 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 50' ' ' PHE . 44.4 mt-10 -85.06 31.42 0.55 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.49 103.87 16.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.719 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.97 -173.43 4.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -81.35 147.52 29.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.409 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.2 m -77.68 -43.32 31.62 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.655 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.93 -37.89 76.05 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.61 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.83 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.46 -45.23 94.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.77 -30.14 70.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.423 . . . . 0.0 110.456 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -65.48 -48.4 68.87 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.0 -39.93 95.23 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -38.84 90.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.005 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -64.34 -39.25 93.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.028 0.442 . . . . 0.0 110.103 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 65' ' ' GLY . 86.9 t -67.88 -38.95 80.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.091 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.23 -43.8 90.29 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.638 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -39.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.537 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.9 -42.09 98.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.32 -38.31 86.39 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.142 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -70.22 -41.25 73.84 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -61.46 -49.04 78.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.93 95.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.506 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.62 -34.52 78.02 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.086 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 -32.51 74.15 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.615 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -71.71 -36.41 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -67.32 -36.8 82.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.563 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.25 -5.86 59.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.342 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.69 27.53 73.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.879 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.503 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -91.25 96.83 10.77 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 109.988 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.37 -29.77 62.85 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.375 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.33 -50.08 74.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.26 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.6 p -68.86 -30.4 68.91 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.3 mt -59.77 -48.83 80.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -176.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -45.91 89.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -67.23 -45.95 75.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.785 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.17 -36.82 77.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.712 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.31 -45.01 95.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.454 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 51.0 mm-40 -62.27 -40.53 96.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 110.059 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.87 -38.41 91.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.36 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.78 -46.17 91.54 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.8 -43.43 98.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.587 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 75.5 mm-40 -68.11 -40.59 82.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -177.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.07 -39.69 75.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.233 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.645 ' HG ' F22C ' A' ' 201' ' ' 7BU . 4.6 tt -61.7 -46.64 88.81 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.12 0.486 . . . . 0.0 110.04 178.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.82 -33.49 74.23 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.483 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.5 mmtt -71.94 -41.4 67.86 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.519 HD12 F21C ' A' ' 201' ' ' 7BU . 88.5 mt -60.53 -45.16 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.647 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -65.17 -30.99 71.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -73.32 -30.23 63.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.08 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 84.8 mt -74.37 -25.86 59.76 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.25 0.547 . . . . 0.0 109.619 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.67 -15.62 61.6 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.979 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -103.18 5.61 37.85 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.7 tptm 53.98 -79.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 126.357 1.863 . . . . 0.0 114.016 -175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 77.0 tttt 66.77 84.82 0.15 Allowed 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 C--N 1.319 -0.727 0 CA-C-O 118.568 -0.73 . . . . 0.0 109.666 -178.296 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.719 H2D1 F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.514 -0.412 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 58.79 77.16 0.31 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 123.848 0.717 . . . . 0.0 110.176 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.44 ' HA ' ' CD2' ' A' ' 6' ' ' LEU . 50.3 p90 -58.3 -33.0 68.98 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.423 -175.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.33 -47.81 84.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.091 0.472 . . . . 0.0 110.479 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.16 -50.87 43.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.378 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 3' ' ' PHE . 4.0 pp -53.65 -42.53 67.95 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 120.201 -0.599 . . . . 0.0 112.078 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.621 ' HA ' F22D ' A' ' 201' ' ' 7BU . 23.1 mmm180 -62.66 -46.31 88.8 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.991 0.424 . . . . 0.0 110.58 174.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 55.5 tp60 -61.14 -47.68 85.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.578 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -65.41 -26.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.859 0.361 . . . . 0.0 111.386 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.471 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -73.28 -52.23 8.99 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.26 -39.74 83.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.55 0.214 . . . . 0.0 111.353 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.5 mt-10 -62.14 -42.21 99.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 110.082 176.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.596 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 10' ' ' GLY . 73.3 t -60.55 -46.33 95.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 110.185 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.66 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 72.9 mm-40 -57.82 -46.8 84.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.211 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.73 81.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.755 0.312 . . . . 0.0 111.04 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.29 -40.05 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 0.0 109.882 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.88 -41.87 98.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.732 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 16.5 mmt180 -66.63 -34.84 78.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.205 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.39 -39.4 93.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.977 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -63.99 -43.26 96.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.355 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 36.2 mt-10 -60.94 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.126 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 19' ' ' ARG . 50.9 mm -56.91 -36.3 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -68.0 -47.54 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.774 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.77 -25.31 66.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 64.7 mttm -91.42 0.42 57.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.22 28.94 55.5 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 116.329 -0.396 . . . . 0.0 113.955 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -90.47 87.24 6.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 117.392 0.596 . . . . 0.0 110.885 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.39 -31.75 62.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.399 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.29 -49.5 60.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.975 0.417 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -75.09 -32.66 61.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.054 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 27.1 tp -60.5 -42.07 95.59 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.822 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.3 -40.19 81.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.736 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.86 -44.71 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.2 -35.16 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.294 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 9.6 tp -61.57 -36.91 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.898 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.4 -40.24 81.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 6.3 tp10 -63.18 -42.71 99.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.527 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.532 ' O ' HG12 ' A' ' 43' ' ' ILE . 63.5 mt -65.44 -46.96 88.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.645 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.12 -42.38 80.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.694 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.61 -34.31 75.54 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.055 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 79.4 mt -65.26 -34.29 78.01 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 39' ' ' ILE . 46.5 mm -60.48 -46.62 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.779 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -62.97 -43.02 99.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.51 -36.01 82.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.338 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.07 -43.4 29.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 109.637 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.591 ' HD2' F23B ' A' ' 201' ' ' 7BU . 7.4 tpt180 -60.33 -43.82 96.06 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.016 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -58.2 -43.53 87.65 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.4 mt -63.48 -28.51 70.01 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.846 0.355 . . . . 0.0 111.67 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -78.56 -36.78 44.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -78.92 -26.83 43.69 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -175.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -46.4 -52.65 12.55 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 3.3 mmp_? -145.21 -12.43 0.54 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -176.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 66.3 155.97 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.097 0.475 . . . . 0.0 110.743 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -145.82 28.91 1.13 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.282 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 64.68 -81.84 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.537 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 60.6 -81.9 0.02 OUTLIER 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.839 0.855 . . . . 0.0 112.172 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -169.79 135.15 1.43 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -74.09 -43.13 58.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -61.78 -40.21 94.4 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.973 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.38 96.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.43 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.6 94.44 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.518 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 27.7 mtpp -62.0 -44.11 97.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.22 -30.69 71.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.199 0.523 . . . . 0.0 109.812 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.421 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -63.53 -47.78 83.97 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.775 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -62.96 -39.15 93.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.773 0.32 . . . . 0.0 110.73 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 97.5 mt-30 -61.85 -43.61 98.5 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.629 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -65.04 -38.1 89.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.162 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.1 -42.48 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.55 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 64.6 tt0 -66.02 -43.64 87.02 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.116 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 57.9 mt -62.85 -41.28 99.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.555 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.14 -38.47 88.21 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 5.5 tp-100 -62.35 -44.11 97.24 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.626 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 29.5 mmm180 -63.86 -39.01 93.21 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.223 0.535 . . . . 0.0 109.988 176.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.27 -47.42 86.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.37 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -60.28 -44.15 95.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.677 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 39.1 mt-10 -62.29 -34.12 75.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.008 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.79 92.74 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.067 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.4 -35.63 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.934 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.01 -37.23 84.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.066 0.46 . . . . 0.0 109.807 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.72 -0.64 57.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.899 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.58 16.7 65.83 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.354 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -89.95 75.98 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.405 0.621 . . . . 0.0 111.733 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -57.34 -22.93 45.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.709 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.09 -44.43 96.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.033 0.444 . . . . 0.0 110.01 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 m -69.92 -31.59 69.44 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.29 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.29 -42.39 95.36 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.955 -177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.65 -47.44 84.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -70.23 -45.89 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.469 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 98.8 mt -65.92 -34.67 78.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.311 -178.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 26.6 tp -69.67 -38.74 77.17 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 32.8 tt0 -62.12 -44.45 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -63.61 -38.99 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.901 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 72.8 mt -63.96 -44.46 92.73 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 51.4 mt-10 -60.64 -45.32 94.53 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.992 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 47.5 mt-30 -67.92 -38.54 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.0 111.123 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.404 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.32 -40.94 77.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.089 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.512 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.8 tt -61.0 -42.5 98.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.18 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.3 mm-40 -61.77 -37.8 85.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.269 178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.91 -44.82 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.478 HD12 F21C ' A' ' 201' ' ' 7BU . 89.4 mt -61.36 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.345 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.676 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 3.2 mtp180 -58.68 -42.49 88.62 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.429 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -42.6 93.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.875 0.369 . . . . 0.0 111.025 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.68 -34.82 67.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.367 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.52 67.98 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.904 0.383 . . . . 0.0 111.237 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.676 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 42.3 mm-40 -68.22 -19.3 64.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.741 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 70.46 -31.51 0.22 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.991 0.916 . . . . 0.0 113.387 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 106' ' ' GLU . 40.7 ttmt 173.99 -42.48 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.224 0.535 . . . . 0.0 109.6 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.056 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.736 F21D H3C1 ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 120.51 0.195 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -79.84 -50.02 11.12 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.26 -27.63 69.48 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.659 0.742 . . . . 0.0 109.406 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.94 -39.03 71.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.689 -1.142 . . . . 0.0 110.724 175.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -66.18 -41.66 89.99 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.74 -54.08 32.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.834 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.578 ' HA ' F22D ' A' ' 201' ' ' 7BU . 26.9 ptt180 -64.57 -39.07 93.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.45 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.97 -45.78 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.91 -23.97 66.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.993 0.425 . . . . 0.0 111.245 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.43 -53.08 9.11 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.42 -33.85 71.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.92 -46.38 89.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.463 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.96 -41.11 95.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.587 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.3 t -63.35 -47.42 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.38 -44.96 84.89 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.5 81.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.559 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.4 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 71.7 t80 -69.4 -39.66 77.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.181 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.8 mt-30 -65.24 -34.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.355 0.598 . . . . 0.0 109.415 178.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 19' ' ' ARG . 17.5 tpt180 -69.4 -35.7 76.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.295 176.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 44.3 tp -61.67 -36.08 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.452 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -60.81 -47.19 87.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.232 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.03 -52.11 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.931 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 HG22 ' OG ' ' A' ' 31' ' ' SER . 49.1 mm -56.12 -39.03 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.17 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -69.63 -48.0 61.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.781 0.324 . . . . 0.0 110.65 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.15 -21.3 64.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.488 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -80.68 -4.94 56.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.486 0.184 . . . . 0.0 111.134 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.69 26.04 52.52 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.569 -0.348 . . . . 0.0 113.764 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.464 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 9.3 t0 -93.58 86.24 5.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.432 0.616 . . . . 0.0 110.607 -178.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.409 ' HA ' HD11 ' A' ' 32' ' ' LEU . 36.2 m-20 -58.43 -29.75 66.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.221 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -71.0 -42.53 69.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.903 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.464 ' OG ' ' HB3' ' A' ' 28' ' ' ASP . 94.0 p -73.25 -30.67 63.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.583 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD11 ' HA ' ' A' ' 29' ' ' ASP . 20.8 mt -61.47 -40.64 95.26 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.772 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 12.3 tp10 -59.93 -41.53 92.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.655 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -70.41 -40.92 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.167 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.4 -37.87 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.423 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.97 -34.81 76.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.173 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 51.9 mt-10 -66.99 -38.54 86.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.236 0.541 . . . . 0.0 109.731 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 17.0 tp10 -65.04 -44.71 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.576 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.412 ' O ' HG13 ' A' ' 43' ' ' ILE . 71.0 mt -65.83 -48.28 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.327 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.26 -37.9 75.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.93 -35.43 76.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.874 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 85.5 mt -67.66 -36.04 79.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.734 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.4 mt -61.25 -43.97 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.87 -44.49 76.96 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.247 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.94 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 0.0 111.187 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -74.88 -44.13 50.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -71.41 -30.19 65.79 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.48 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.45 -37.74 76.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.23 0.538 . . . . 0.0 110.188 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.38 -37.47 71.59 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.968 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -69.65 -30.07 67.68 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -69.12 -28.33 66.37 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 110.041 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -80.11 39.02 0.43 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.668 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 70.49 -80.17 0.04 OUTLIER 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.964 0.906 . . . . 0.0 112.069 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 57.33 -155.88 0.32 Allowed 'General case' 0 C--O 1.239 0.512 0 O-C-N 123.459 0.474 . . . . 0.0 110.594 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -92.01 155.65 17.97 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.81 91.21 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 123.19 0.306 . . . . 0.0 110.835 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.92 -71.7 0.08 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.915 0.886 . . . . 0.0 112.191 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -162.23 134.48 5.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.187 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 m -71.71 -45.46 61.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.032 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.2 -33.07 71.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.075 0.464 . . . . 0.0 111.08 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.45 99.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.59 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.48 -44.23 94.98 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -63.51 -38.48 91.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.216 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -61.08 -41.97 99.64 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.888 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 3.5 m-20 -62.14 -41.0 97.83 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.293 0.547 . . . . 0.0 110.938 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.169 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.79 -38.77 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.124 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -66.27 -41.33 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.032 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 13.1 mm100 -66.44 -41.72 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.211 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.67 -39.37 94.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.52 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.413 ' N ' HD22 ' A' ' 94' ' ' LEU . 72.4 t80 -66.92 -38.6 86.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.524 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 26.9 mt-30 -64.32 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.8 mtt180 -63.66 -37.42 87.26 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -45.41 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.498 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -63.68 -41.88 98.1 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.53 -38.19 89.02 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.413 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.03 83.97 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.31 -44.45 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.76 0.314 . . . . 0.0 111.141 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.91 -36.8 83.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -86.61 -1.74 57.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.809 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 25.54 73.3 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.917 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.524 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.9 t70 -92.72 95.56 9.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.098 0.475 . . . . 0.0 109.773 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -74.75 -32.49 62.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.898 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.22 -41.22 92.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.935 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.8 m -72.33 -30.33 64.65 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.1 mt -59.68 -47.77 84.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.87 -46.73 84.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 38.8 tt0 -68.67 -47.56 66.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.738 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.31 -36.56 84.1 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.583 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.79 -41.49 83.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.974 0.416 . . . . 0.0 109.95 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.43 -40.06 85.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.482 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 89' ' ' GLN . 42.9 mt-10 -67.04 -37.08 83.46 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.873 0.368 . . . . 0.0 110.102 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 72' ' ' PHE . 29.9 mt -63.8 -45.82 87.93 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.801 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.85 -43.78 98.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.474 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 tp60 -69.06 -37.33 78.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.83 83.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 109.666 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.622 ' HG ' F22C ' A' ' 201' ' ' 7BU . 5.9 tt -62.15 -44.07 97.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.638 177.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.0 -31.1 71.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.444 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 96.9 mttt -72.2 -42.97 65.2 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.495 HD13 F21C ' A' ' 201' ' ' 7BU . 91.3 mt -61.56 -47.56 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -60.91 -38.49 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.782 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.17 -46.37 90.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.85 -36.93 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.774 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.19 -35.88 63.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -90.61 -21.74 21.57 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.286 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.9 mttm 46.86 -91.26 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -138.9 29.0 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.111 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.451 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.671 -178.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.725 F22A H2A1 ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.683 0.278 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.581 ' OE2' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -90.03 -32.9 16.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.34 -178.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -54.91 -33.95 62.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.387 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 32.1 mt-10 -59.03 -54.98 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.065 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -68.26 -39.5 82.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.999 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -49.92 -52.47 33.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.55 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.57 ' HA ' F22D ' A' ' 201' ' ' 7BU . 98.8 mtt180 -62.97 -44.66 95.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.357 176.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 77.4 mt-30 -60.36 -46.29 90.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.898 -178.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -65.75 -23.43 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.474 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -73.11 -48.69 18.94 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 176.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.514 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.9 m-20 -58.78 -43.44 90.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.587 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.25 -44.41 97.29 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.8 tp -61.16 -41.49 96.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.703 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 71.7 t -63.22 -42.93 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.721 0.296 . . . . 0.0 110.257 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -58.05 -42.74 86.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.05 -35.96 77.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.587 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 74.0 t80 -63.91 -38.25 90.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.736 177.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 97.1 mt-30 -63.4 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.59 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 90.5 mtt180 -62.88 -36.41 83.2 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 57.9 tp -59.61 -40.42 87.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.47 -177.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -66.27 -48.96 68.76 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.195 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.15 -31.26 72.0 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.401 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 28' ' ' ASP . 93.0 mt -79.62 -40.48 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.592 0.71 . . . . 0.0 109.918 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.75 -47.9 50.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.622 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -62.36 -27.54 69.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.479 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.03 2.38 55.27 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.9 29.5 74.36 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.507 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.508 ' HB3' HG21 ' A' ' 23' ' ' ILE . 14.9 t0 -80.27 102.23 9.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.241 0.543 . . . . 0.0 110.408 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -73.9 -43.34 58.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.372 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.25 -47.97 77.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.92 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 t -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.931 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.59 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.1 tp -60.25 -48.22 82.68 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.575 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.94 -46.06 88.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.704 0.288 . . . . 0.0 111.211 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -62.0 -45.83 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 23' ' ' ILE . 58.6 t -67.92 -33.81 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.002 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.3 mt -60.05 -35.79 75.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.62 -38.15 86.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.212 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.2 mt-10 -69.09 -42.1 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.358 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.532 ' O ' HG13 ' A' ' 43' ' ' ILE . 79.6 mt -61.45 -49.02 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.172 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -59.29 -37.61 78.12 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 178.139 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.92 -38.97 92.75 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 94.8 mt -69.21 -35.78 76.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.7 mt -62.7 -41.67 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 78.4 mt-30 -62.35 -45.27 93.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.342 176.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -61.24 -37.4 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.73 -40.64 47.9 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' NE ' HG21 ' A' ' 43' ' ' ILE . 75.9 mtm180 -66.42 -44.14 83.74 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.933 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -58.42 -40.69 83.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.584 -174.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.75 -37.62 82.37 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.092 0.472 . . . . 0.0 110.282 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -73.76 -29.5 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.251 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.02 -30.46 55.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.591 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.51 -70.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.484 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.581 ' HD2' ' OE2' ' A' ' 2' ' ' GLU . 30.3 ttm180 -125.21 170.28 11.41 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' A' ' 53' ' ' ARG . 84.9 mm-40 75.8 153.12 0.14 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.906 0.86 . . . . 0.0 112.516 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -123.09 174.2 7.38 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.97 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.23 95.01 4.87 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.823 0.344 . . . . 0.0 110.737 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.2 95.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.661 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -116.13 129.54 56.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.898 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.0 m -75.6 -39.16 58.4 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.009 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 8.3 tp10 -63.01 -46.61 86.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.641 0.258 . . . . 0.0 110.627 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.22 91.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.295 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.405 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.11 -45.08 93.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.196 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 84.5 mm-40 -65.15 -33.1 75.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -65.91 -49.18 60.3 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.465 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 9.5 m-20 -62.17 -38.93 90.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 176.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -62.21 -42.06 98.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.337 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -62.26 -39.65 93.61 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.946 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 65' ' ' GLY . 87.4 t -66.71 -41.76 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.387 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 85.1 mm-40 -67.6 -38.56 84.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -40.15 94.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.452 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.8 -40.62 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.189 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.35 -41.1 98.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.28 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.36 -41.41 93.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.953 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.48 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.473 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -41.59 92.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.87 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.36 -33.04 70.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.96 74.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.373 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.89 -35.32 71.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -67.82 -32.05 72.33 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.022 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.22 -5.01 59.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.01 22.35 75.83 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.29 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.637 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -91.12 98.29 11.67 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.05 0.452 . . . . 0.0 110.799 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -73.47 -28.92 62.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.566 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.79 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.668 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.4 m -67.07 -31.09 71.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.616 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 75.3 mt -60.18 -48.19 82.75 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.34 -45.9 91.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -68.22 -45.91 71.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.974 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.102 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.3 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.93 -39.93 90.94 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.014 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.0 -35.67 81.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.872 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.6 -40.82 93.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.9 tm-20 -64.12 -43.44 95.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -68.46 -39.62 81.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 111.244 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.77 -42.75 73.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.043 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 10.1 tt -61.37 -41.62 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.253 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 79.2 mm-40 -60.84 -37.83 83.4 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.316 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 mtmm -69.53 -42.12 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.754 0.311 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.465 HD12 F21C ' A' ' 201' ' ' 7BU . 92.5 mt -63.86 -47.6 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.423 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -62.22 -40.55 96.49 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.83 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt-10 -60.74 -36.2 78.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.017 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 97.7 mt -69.47 -39.54 77.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 110.56 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.48 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 0.0 110.983 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -84.83 -13.6 50.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.099 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.7 tptp 68.07 9.1 6.96 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.241 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 73.1 tttt 40.79 85.82 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.395 1.078 . . . . 0.0 112.165 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.312 -1.045 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.965 -177.751 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.681 F22A H2A1 ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.751 0.31 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -53.35 39.43 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.677 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -67.45 -24.56 65.63 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.342 0.591 . . . . 0.0 110.074 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.48 -48.84 71.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.606 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -67.56 -44.44 78.26 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 tp -49.96 -53.49 25.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.423 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.583 ' HG3' F22D ' A' ' 201' ' ' 7BU . 19.1 ttt180 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 54.5 tt0 -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.203 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.3 p -65.01 -21.46 66.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 111.393 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.461 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -74.75 -47.34 15.07 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 3.6 m-20 -54.91 -45.37 74.75 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.87 175.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.3 mm-40 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.267 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.71 -43.88 97.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.892 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 68.7 t -61.6 -45.51 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.542 177.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 56.8 mt-30 -56.58 -45.62 81.26 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.812 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CD2' HD12 ' A' ' 98' ' ' LEU . 83.9 t80 -67.5 -40.14 85.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.779 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.2 mt-30 -62.17 -43.1 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.29 0.567 . . . . 0.0 109.621 177.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -64.3 -35.97 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.288 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.81 -39.97 93.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -62.89 -48.4 79.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 mm-40 -62.78 -52.28 63.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.879 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' A' ' 28' ' ' ASP . 93.2 mt -55.75 -36.32 42.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.838 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -69.18 -48.69 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -63.59 -31.39 72.54 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.79 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 57.3 mttm -87.53 3.6 46.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.77 29.45 73.99 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.032 -0.604 . . . . 0.0 114.164 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.503 ' HB3' HG22 ' A' ' 23' ' ' ILE . 9.8 t70 -81.44 103.0 10.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.8 m-20 -70.25 -43.32 70.79 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.948 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -68.8 -47.81 65.17 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -70.18 -33.09 71.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.243 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.8 tp -59.67 -47.25 86.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.216 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 50.9 mt-10 -61.05 -46.49 90.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.052 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.98 -45.58 94.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.613 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 39' ' ' ILE . 59.6 t -63.58 -33.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.407 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.87 -38.87 83.41 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 mp0 -68.63 -37.85 80.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.74 -43.31 84.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 43' ' ' ILE . 67.7 mt -61.57 -46.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.174 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.51 -34.38 69.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.171 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 59.3 mm-40 -69.16 -40.83 77.93 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.985 0.421 . . . . 0.0 110.684 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.62 -36.83 76.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.181 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.3 mt -61.53 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.367 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.33 -45.43 91.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.102 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.24 -33.9 75.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.85 -43.95 43.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 109.73 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -67.67 -33.21 74.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.626 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.89 -31.75 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.874 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.12 -27.95 61.11 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.418 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -76.83 -26.76 54.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.859 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -59.57 -33.93 72.05 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 111.391 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -134.27 132.32 39.48 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 75.67 72.72 0.09 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.79 0.836 . . . . 0.0 109.608 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -85.16 81.85 8.66 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.988 -177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -83.41 135.87 34.53 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.698 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 63.14 31.34 15.79 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.684 0.615 . . . . 0.0 109.813 -176.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.56 154.52 8.57 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.715 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -178.33 147.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.496 -177.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -77.59 -40.38 42.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.963 0.411 . . . . 0.0 110.472 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -67.42 -45.82 74.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.727 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.04 -44.49 97.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.352 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.0 86.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.34 -45.5 92.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.841 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.87 -29.6 65.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.853 0.358 . . . . 0.0 110.393 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -63.83 -48.4 76.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.71 -36.54 84.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.0 110.946 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.13 -43.63 98.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.06 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -64.76 -38.18 90.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.126 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 65' ' ' GLY . 90.7 t -64.64 -45.55 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.5 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.8 -38.95 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.593 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.01 -42.57 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.08 -41.95 85.47 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.282 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.32 -44.45 95.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.3 -40.24 89.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.451 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.54 -48.62 78.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.422 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' HG2' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.31 -40.02 96.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.238 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.89 -34.71 79.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.37 0.605 . . . . 0.0 109.746 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.34 69.84 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.5 -35.71 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -68.47 -33.96 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.996 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -82.76 -8.25 59.6 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.775 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.46 25.4 74.85 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.209 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.668 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -92.57 98.5 11.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.981 0.42 . . . . 0.0 110.709 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -73.49 -30.88 63.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.441 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.69 -48.56 80.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.698 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 p -71.28 -31.12 67.09 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.608 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.8 mt -60.41 -48.97 79.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 50.2 mt-10 -60.92 -45.94 92.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.806 0.336 . . . . 0.0 111.335 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.51 -43.59 84.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.32 -34.82 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.266 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.9 tp -66.65 -41.82 87.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 47.0 mm-40 -62.26 -40.24 95.54 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 109.957 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -68.24 -37.04 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.095 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.3 -45.3 93.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.43 -41.37 97.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.002 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.65 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 32.1 tt0 -69.71 -42.4 74.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.459 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.64 84.61 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.642 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.546 ' HG ' F22C ' A' ' 201' ' ' 7BU . 2.9 tt -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -66.91 -29.07 68.85 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.456 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.65 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 78.9 mttt -70.33 -44.76 67.54 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.487 HD12 F21C ' A' ' 201' ' ' 7BU . 91.4 mt -63.64 -45.63 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.958 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -58.17 -39.94 80.15 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 45.9 mt-10 -60.98 -46.05 92.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.619 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.22 -38.03 75.15 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.86 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.13 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.633 0.254 . . . . 0.0 111.546 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.62 -8.66 57.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.21 0.529 . . . . 0.0 109.724 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 68.53 12.5 8.72 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.146 -0.933 . . . . 0.0 110.452 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 66.64 -42.62 0.41 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.67 1.188 . . . . 0.0 113.053 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.4 t30 . . . . . 0 C--O 1.247 0.923 0 C-N-CA 123.443 0.697 . . . . 0.0 111.257 179.622 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.747 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.633 0.254 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.45 76.2 3.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.173 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -69.25 -35.85 76.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.668 0.27 . . . . 0.0 111.505 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.6 -47.81 74.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.09 0.472 . . . . 0.0 110.361 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -65.83 -25.06 67.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.18 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.68 -51.86 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.597 ' HA ' F22D ' A' ' 201' ' ' 7BU . 9.3 tpt180 -63.25 -43.18 98.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.95 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.579 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 23.1 tm0? -60.6 -44.87 95.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.019 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -70.8 -22.87 62.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -72.11 -49.66 20.67 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.05 -40.16 80.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.572 -0.314 . . . . 0.0 111.692 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.4 mm-40 -64.15 -42.52 96.72 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.799 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.428 HD12 F23C ' A' ' 201' ' ' 7BU . 3.3 tm? -60.87 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.036 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 10' ' ' GLY . 96.7 t -60.98 -42.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.075 178.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.84 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.23 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.39 83.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.979 0.419 . . . . 0.0 110.36 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -67.48 -38.68 84.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.007 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.51 -38.15 80.66 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.924 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' O ' HG13 ' A' ' 23' ' ' ILE . 8.0 tpm_? -69.57 -35.2 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.71 -42.56 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.871 -1.058 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -67.88 -35.62 78.82 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.65 -37.06 79.37 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.488 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 19' ' ' ARG . 77.8 mt -76.04 -36.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.624 0.726 . . . . 0.0 109.696 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.24 -46.32 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.155 -176.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -61.66 -22.84 65.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.451 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -92.01 3.56 54.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.97 28.39 73.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.223 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -86.53 102.22 13.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.293 0.568 . . . . 0.0 110.531 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.05 -42.55 47.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.304 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.77 -47.42 83.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.989 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 t -73.17 -31.33 64.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 49.9 tp -59.35 -48.25 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.29 -47.17 84.48 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.969 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.84 -46.32 91.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.614 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.01 -34.17 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.927 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.7 mt -59.23 -43.81 92.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.136 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -67.46 -34.87 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 mt-10 -69.92 -43.13 72.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 43' ' ' ILE . 62.7 mt -59.78 -47.91 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.951 177.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 45.9 mt-10 -58.51 -37.23 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.94 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 30.4 tt0 -68.94 -35.99 77.43 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.9 mt -69.21 -36.5 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.155 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.6 mt -60.6 -40.83 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.481 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 69.8 mt-30 -63.7 -44.13 94.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.341 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 65.3 mttm -61.61 -37.51 84.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.773 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -77.25 -44.47 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -67.55 -35.26 78.71 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.623 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -58.66 -34.88 71.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.61 -30.97 70.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.197 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -77.09 -31.48 55.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.064 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.76 -28.15 63.44 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.273 0.559 . . . . 0.0 110.058 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -80.13 19.45 0.73 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.694 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -161.21 176.19 11.52 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -119.8 -47.94 2.39 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 2.6 mp0 -51.7 116.23 2.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.282 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.21 148.16 24.93 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.174 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.436 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -73.63 -14.92 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.898 0.38 . . . . 0.0 110.918 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -172.64 139.34 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.9 m -76.53 -46.64 25.62 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -176.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.61 -33.43 71.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.011 0.434 . . . . 0.0 110.972 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.43 97.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' HB1' F22A ' A' ' 201' ' ' 7BU . . . -65.53 -42.35 92.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.1 tptm -63.87 -43.91 94.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.02 -38.62 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.105 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.551 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -42.17 99.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.064 178.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.34 -44.42 97.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 110.485 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.8 mm-40 -65.49 -36.07 82.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -62.45 -38.94 91.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -66.41 -38.06 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.754 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.8 mt-30 -69.27 -39.44 78.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.95 -39.94 93.82 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.54 -37.7 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.698 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 79.0 mt-30 -62.59 -38.94 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.8 mmt180 -66.17 -37.69 86.25 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.7 -46.62 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.338 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -61.22 -41.21 96.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.147 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 49.3 mt-10 -65.84 -36.5 83.65 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.914 0.388 . . . . 0.0 110.156 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.62 89.39 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.74 -42.53 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.871 0.367 . . . . 0.0 110.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -68.19 -30.67 69.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.03 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -90.63 0.45 57.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.81 19.65 75.28 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.152 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.501 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -88.46 95.03 10.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.026 0.441 . . . . 0.0 110.002 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -76.52 -28.79 56.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.961 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 -49.51 76.95 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.0 m -63.37 -30.86 71.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 93.9 mt -60.11 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.331 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 36.6 mt-10 -62.86 -41.62 99.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.929 0.395 . . . . 0.0 111.182 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -66.76 -45.29 79.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.38 -34.4 75.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.43 -43.9 96.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 110.755 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 27.9 mm-40 -68.35 -35.92 78.46 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.195 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.62 -44.2 91.3 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 109.774 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.35 -41.47 97.11 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.42 -46.12 91.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.329 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.68 -42.89 85.82 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.89 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.553 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.32 -45.55 76.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.498 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.1 tt -62.04 -45.86 91.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -62.02 -41.19 97.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.598 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.0 -36.95 80.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.457 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 97' ' ' ALA . 99.6 mt -61.61 -45.27 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -58.04 -44.49 87.4 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.365 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.93 -41.86 97.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.341 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.06 -38.47 66.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.65 -31.98 62.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 111.777 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -82.76 -34.19 27.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.106 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.7 mttm 58.33 -81.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 123.89 0.876 . . . . 0.0 112.508 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.2 tttp 57.38 40.95 27.09 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.603 0.716 . . . . 0.0 109.549 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.265 -177.326 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.755 F22A H2A1 ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.468 0.425 0 CA-C-O 120.869 0.366 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -60.2 -36.97 78.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.404 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -59.18 -31.69 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.425 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.46 -51.51 50.53 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.705 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.3 -27.81 69.58 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.273 0.558 . . . . 0.0 110.622 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.98 -53.4 13.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.594 ' HA ' F22D ' A' ' 201' ' ' 7BU . 66.6 ttt-85 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.335 177.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.516 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 p -64.44 -23.07 67.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.184 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -76.63 -48.65 8.73 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 49.1 m-20 -59.01 -44.98 91.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 122.284 0.233 . . . . 0.0 110.898 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.25 -40.1 95.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.886 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.91 -38.88 83.56 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 10' ' ' GLY . 64.8 t -66.83 -41.44 87.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -60.95 -38.53 86.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.43 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.23 -38.67 85.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.997 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.73 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -64.98 -39.59 93.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.915 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.94 -38.55 82.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -47.63 84.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 47.0 mt-10 -66.54 -52.86 41.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.464 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.42 -34.12 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.84 -44.04 94.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.79 -21.33 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.533 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.2 mttt -90.58 -13.12 35.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.218 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.63 28.81 73.75 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.133 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.27 80.75 3.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.126 0.488 . . . . 0.0 110.664 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 -29.73 45.81 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.459 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -63.42 -50.24 70.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.044 0.449 . . . . 0.0 110.835 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -75.57 -32.83 60.53 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.075 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 1.9 tt -58.99 -48.01 83.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.818 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.73 -40.44 92.38 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 110.879 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.43 -45.12 88.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.027 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -33.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.001 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 92.5 mt -59.84 -34.57 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.244 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -64.83 -39.14 93.09 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.07 -45.7 87.61 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.396 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 43' ' ' ILE . 78.2 mt -64.87 -49.28 80.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.581 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 10.5 tp10 -56.95 -45.23 82.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.5 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 21.2 mm-40 -64.49 -43.84 92.9 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.8 -35.95 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.474 0.175 . . . . 0.0 111.474 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.4 mt -61.47 -46.67 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 79.8 mm-40 -62.04 -45.32 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.602 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 67.2 mttm -67.16 -34.11 76.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -77.16 -44.85 28.77 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -68.27 -30.31 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.396 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -56.3 -41.34 75.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.932 0.396 . . . . 0.0 110.378 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.33 -28.9 64.41 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -74.37 -40.7 61.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.183 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.69 -28.86 65.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.08 0.466 . . . . 0.0 110.828 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -90.08 22.63 3.15 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.162 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -152.03 -38.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 80.05 -45.85 0.3 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.069 0.948 . . . . 0.0 111.755 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -32.49 112.13 0.11 Allowed 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.424 ' C ' ' H ' ' A' ' 58' ' ' ASP . . . -117.11 -22.89 8.17 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.059 177.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.83 -45.08 0.6 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.811 0.844 . . . . 0.0 111.335 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 56' ' ' ALA . 27.1 t70 -132.93 123.18 25.46 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.13 178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.0 m -67.36 -34.09 76.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.45 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.47 -36.5 82.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.733 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.43 89.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.436 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.791 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.19 -45.64 93.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -68.26 -29.99 68.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 177.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.86 -48.62 69.77 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.46 -40.97 88.59 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.026 0.441 . . . . 0.0 110.213 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.3 -42.53 99.44 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.579 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.06 -39.78 87.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.935 0.398 . . . . 0.0 109.997 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 89.6 t -67.23 -40.36 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.779 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -62.01 -45.17 94.77 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.712 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.61 -38.48 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.239 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.36 -43.69 96.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.517 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.8 mt-30 -62.3 -42.19 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -64.49 -38.79 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.188 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.4 t80 -60.67 -45.79 92.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.713 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -58.11 -42.2 85.19 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -66.37 -33.93 76.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.93 67.95 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.264 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.9 mt -72.86 -45.48 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.536 0.684 . . . . 0.0 109.281 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -70.19 -33.49 71.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.743 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -94.71 2.54 55.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.41 73.21 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.975 -0.631 . . . . 0.0 114.193 174.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.3 t70 -88.02 96.06 10.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 117.518 0.659 . . . . 0.0 109.304 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -64.53 -41.06 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.591 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.952 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -64.13 -33.39 75.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.3 mt -61.41 -49.65 75.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.117 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 30.0 mt-10 -59.35 -49.24 78.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.954 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.45 -44.86 70.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.5 mt -64.7 -34.33 78.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.057 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 43.4 tp -68.46 -42.28 78.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.229 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 88' ' ' GLU . 31.5 mt-10 -66.13 -36.67 83.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.98 0.419 . . . . 0.0 110.149 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.17 -38.34 90.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.458 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.3 mt -61.94 -40.6 96.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.938 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.5 mt-10 -61.78 -44.67 96.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 78.9 mm-40 -69.0 -44.53 72.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.238 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.1 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.471 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.614 ' HG ' F22C ' A' ' 201' ' ' 7BU . 6.7 tt -61.91 -46.2 90.4 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.356 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -65.03 -32.4 74.1 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.595 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 8.7 mtpm? -71.54 -41.53 69.04 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.738 0.304 . . . . 0.0 111.076 -178.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.61 -44.86 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.229 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.477 ' HD2' HG21 ' A' ' 14' ' ' VAL . 67.7 mtp85 -66.36 -35.2 79.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.5 -42.87 99.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.104 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.409 HD23 ' HG3' ' A' ' 108' ' ' LYS . 98.9 mt -66.83 -40.71 88.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.436 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.72 -22.61 62.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.486 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -87.9 -29.84 20.57 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -171.74 98.22 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.822 -174.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HG3' HD23 ' A' ' 104' ' ' LEU . 13.6 tmtt? -165.36 -58.48 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.227 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.6 m120 . . . . . 0 C--O 1.25 1.131 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.21 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.716 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.493 0.187 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 72.51 -9.5 1.05 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.176 0.99 . . . . 0.0 113.232 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -67.25 -26.89 66.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.924 0.392 . . . . 0.0 110.183 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.83 -50.01 75.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.149 175.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -65.45 -43.5 90.16 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.612 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.7 tp -49.94 -52.94 29.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.468 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.612 ' HA ' F22D ' A' ' 201' ' ' 7BU . 5.1 tpt180 -64.73 -44.57 89.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.715 0.293 . . . . 0.0 111.419 176.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.681 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -66.44 -20.49 66.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.058 0.456 . . . . 0.0 111.071 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -75.13 -49.08 9.97 Favored Glycine 0 N--CA 1.438 -1.18 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 m-20 -57.82 -41.49 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.592 176.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.76 -44.56 96.66 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.09 -39.64 90.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.2 t -60.88 -45.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.939 0.4 . . . . 0.0 110.095 176.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 86.2 mm-40 -57.43 -45.43 84.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.496 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.81 85.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.042 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.115 0.484 . . . . 0.0 109.764 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -63.67 -37.95 89.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.993 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.11 -35.29 79.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.757 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.49 -39.19 92.67 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.795 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -63.59 -46.4 86.01 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.921 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.685 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 29.6 tt0 -61.19 -51.83 67.38 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 -178.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.6 mt -56.75 -36.52 49.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.821 176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -68.14 -47.74 67.24 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.4 -33.45 75.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.942 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.685 ' HD3' ' O ' ' A' ' 22' ' ' GLU . 3.9 mptp? -88.69 -5.18 58.29 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.01 29.88 62.84 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.457 0.543 . . . . 0.0 114.457 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.73 84.58 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.812 0.806 . . . . 0.0 110.759 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.68 -30.39 63.37 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.063 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.69 -47.8 61.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.987 0.422 . . . . 0.0 110.624 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.6 p -65.99 -32.03 73.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.729 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.0 tp -62.12 -43.4 98.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.948 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -58.26 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.741 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.84 -46.07 66.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.311 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.1 -34.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.42 -34.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.384 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 39.3 mt-10 -68.76 -39.33 80.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.764 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 42.4 mm-40 -64.38 -45.45 87.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.985 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 43' ' ' ILE . 82.7 mt -60.46 -48.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.97 -38.99 77.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.395 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 42.8 mm-40 -71.38 -34.97 70.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.844 0.354 . . . . 0.0 110.553 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 59.3 mt -66.31 -37.17 84.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.2 mt -61.13 -42.58 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.43 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.674 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 78.7 mt-30 -63.34 -46.79 84.98 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.984 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 48.0 mtmt -61.57 -34.5 75.7 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.119 0.485 . . . . 0.0 111.235 -177.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.38 -43.66 39.68 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.658 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -65.77 -33.2 75.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.877 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.4 mt-30 -58.38 -32.79 68.92 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.052 0.453 . . . . 0.0 110.6 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.29 -33.8 67.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.302 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -76.92 -30.93 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.983 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -69.41 -26.8 64.81 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.634 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.35 -65.28 0.68 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.546 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.9 91.87 3.61 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.567 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 55' ' ' GLU . 83.7 mt-30 -89.06 172.47 9.08 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 173.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 56.6 mm-40 69.96 37.97 1.65 Allowed 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.049 0.84 . . . . 0.0 111.508 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.8 31.05 5.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.712 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 68.48 -177.92 0.21 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.042 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 65.28 47.8 2.3 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.63 0.729 . . . . 0.0 110.689 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.72 -23.05 49.51 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.658 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -62.17 -41.37 98.26 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-O 120.907 0.384 . . . . 0.0 110.055 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.4 94.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.92 -38.4 69.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 110.2 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -64.29 -44.52 91.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.382 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -68.11 -40.77 82.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.292 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.533 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.67 -38.77 96.44 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.58 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.4 m-20 -62.92 -40.94 99.14 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 117.123 0.461 . . . . 0.0 110.727 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.24 -42.48 96.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.106 0.479 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.56 -38.09 80.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.194 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -66.63 -39.93 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.129 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 9.4 mm100 -61.47 -45.71 93.11 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.046 0.45 . . . . 0.0 109.981 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.66 -37.38 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.07 -43.19 99.26 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.192 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 96.6 mt-30 -60.9 -44.15 97.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.344 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 90.4 mtt180 -63.29 -38.68 92.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.88 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.433 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.0 t80 -59.97 -47.12 87.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.829 178.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -58.25 -45.97 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.884 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 43.9 mm-40 -65.47 -33.73 76.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -177.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.11 69.44 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 75' ' ' PHE . 92.3 mt -71.2 -37.56 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -65.25 -31.27 72.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.139 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -88.99 -6.62 57.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.583 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.2 27.79 73.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.629 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.494 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 14.6 t70 -93.15 102.13 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.845 0.323 . . . . 0.0 110.418 -177.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.2 pttp -72.76 -25.52 61.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.044 0.449 . . . . 0.0 110.599 -175.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 28.3 m-20 -66.56 -48.61 69.1 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.397 -172.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.5 p -71.05 -30.62 66.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.753 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.1 mt -60.78 -46.73 89.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.632 0.253 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 39.9 mt-10 -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.645 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -69.0 -46.29 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.673 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 96.3 mt -66.11 -39.18 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.721 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.566 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 52.1 tp -61.1 -44.9 96.65 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.567 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 40.3 mt-10 -62.72 -43.26 99.26 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.16 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.26 -34.47 77.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.241 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.4 mt -63.54 -45.3 91.19 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.0 mt-10 -60.75 -41.72 95.98 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.987 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 76.8 mt-30 -69.19 -44.52 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 111.163 -178.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.83 78.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.99 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.546 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.9 tt -61.8 -47.48 84.93 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.009 0.433 . . . . 0.0 110.852 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 48.4 mt-30 -64.03 -30.24 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.833 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -72.39 -44.15 62.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.029 0.442 . . . . 0.0 110.208 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.472 HD13 F21C ' A' ' 201' ' ' 7BU . 92.4 mt -62.57 -46.51 96.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -58.01 -41.21 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 28.9 mm-40 -68.13 -30.29 69.4 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.13 -43.82 61.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.17 0.51 . . . . 0.0 110.118 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.68 -31.5 63.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.063 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.71 -8.88 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.037 0.446 . . . . 0.0 111.083 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.23 101.63 2.88 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 tttm 68.85 141.74 0.04 OUTLIER 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.704 0.802 . . . . 0.0 111.977 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 C--N 1.309 -1.174 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.927 176.902 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.73 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 CA--C 1.522 -0.129 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 64.8 102.4 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.321 0.649 . . . . 0.0 112.155 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -67.52 -28.9 68.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.701 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 43.0 mm-40 -66.42 -42.78 87.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.135 177.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -66.86 -44.68 80.35 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.6 -48.66 48.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.173 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.487 ' HA ' F22D ' A' ' 201' ' ' 7BU . 7.3 mmm180 -62.29 -46.02 90.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.717 175.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 16.3 mm100 -60.77 -44.88 96.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.874 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -65.5 -23.97 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.721 0.296 . . . . 0.0 111.25 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' ' 14' ' ' VAL . . . -70.35 -52.3 17.86 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -43.44 74.25 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 120.763 0.316 . . . . 0.0 111.365 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.08 -45.02 95.35 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.803 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.53 -44.4 97.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.069 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 10' ' ' GLY . 91.1 t -61.02 -45.55 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.501 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -59.25 -38.3 79.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.21 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.96 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 0.0 110.442 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -64.25 -38.43 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.62 -43.94 97.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -65.43 -34.79 79.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.094 0.473 . . . . 0.0 109.82 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.08 -39.57 86.53 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.959 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.76 -46.61 89.8 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.438 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.11 -52.58 64.31 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.442 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.9 mt -56.71 -40.19 68.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.379 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -68.28 -49.18 62.28 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.553 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.856 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.54 3.81 53.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.712 0.291 . . . . 0.0 111.42 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.7 29.65 58.42 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.3 87.76 5.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 118.357 1.078 . . . . 0.0 112.214 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 m-20 -56.13 -32.8 64.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.65 -47.62 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -74.22 -32.2 62.92 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.194 0.521 . . . . 0.0 109.98 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 31.1 tp -61.08 -42.87 99.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.621 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 37.5 mt-10 -57.86 -46.25 85.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.008 0.432 . . . . 0.0 111.242 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.16 -38.82 92.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.666 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' A' ' 23' ' ' ILE . 57.7 t -69.65 -34.97 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.307 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.1 mt -60.78 -35.25 75.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.99 -41.77 90.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.2 tp10 -67.28 -42.52 83.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.159 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 43' ' ' ILE . 69.5 mt -62.33 -47.61 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.17 -38.6 73.82 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.527 0.203 . . . . 0.0 111.302 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.36 -44.87 86.3 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.734 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.6 mt -62.3 -37.47 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.273 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.2 mt -63.92 -48.04 87.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.465 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.63 -43.0 90.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.502 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.86 -35.65 81.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.621 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -76.54 -41.7 45.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.979 0.418 . . . . 0.0 109.965 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -68.89 -33.53 73.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.102 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.44 70.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 111.099 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.88 -28.27 68.19 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -71.33 -27.36 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.385 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -58.7 -38.84 79.16 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -100.02 17.7 20.38 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.269 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -157.96 84.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -72.0 -34.62 69.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.373 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -37.39 107.29 0.06 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.52 119.11 26.33 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.456 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.42 -34.75 71.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.191 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -142.97 123.43 13.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.568 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 21.0 p -79.0 -25.89 43.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.929 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.73 -36.15 81.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.994 0.426 . . . . 0.0 109.877 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.61 95.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.801 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.95 84.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.331 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 59' ' ' THR . 68.6 mttm -63.14 -43.02 99.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.292 177.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.38 -30.64 70.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.67 -48.73 64.73 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.57 -38.79 88.82 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.649 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp60 -63.32 -43.57 97.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.069 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -61.38 -40.01 92.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.79 -41.03 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.951 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 9.3 tt0 -67.69 -40.36 84.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.223 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 94.2 mt -61.99 -39.62 92.81 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.53 -41.21 96.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.384 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -64.95 -38.68 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -68.65 -36.64 78.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' CE2' HD13 ' A' ' 79' ' ' ILE . 83.8 t80 -60.98 -49.18 78.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.699 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' HG2' ' OD2' ' A' ' 80' ' ' ASP . 49.6 ttt180 -65.82 -36.19 82.78 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.613 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 2.6 mm-40 -59.84 -39.71 86.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.34 74.74 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.792 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.405 HD13 ' CE2' ' A' ' 75' ' ' PHE . 95.5 mt -57.14 -45.43 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.245 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' A' ' 76' ' ' ARG . 73.9 m-20 -63.12 -34.02 76.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 109.917 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 31.6 mmtp -88.68 5.11 44.71 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.13 12.81 66.16 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.994 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.527 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -83.48 98.91 9.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.27 0.557 . . . . 0.0 111.829 -177.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.28 -31.41 58.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.358 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.47 -49.95 75.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.641 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -66.48 -29.87 70.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.7 mt -58.13 -40.37 81.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.763 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.14 -46.12 89.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.589 0.233 . . . . 0.0 111.383 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.68 -46.2 69.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.713 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.68 -34.88 78.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.903 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.63 -38.36 80.44 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.4 -45.27 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -65.26 -39.53 92.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.364 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.43 -47.79 80.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.591 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.27 90.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.023 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 79.8 mt-30 -63.97 -42.98 97.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.048 0.451 . . . . 0.0 111.32 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.15 73.18 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.632 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.445 HD11 F21C ' A' ' 201' ' ' 7BU . 7.4 tp -61.12 -46.93 88.58 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 1.7 mp0 -62.87 -38.63 91.62 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.996 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 73.1 mmtt -70.14 -41.68 73.55 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.549 -176.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.99 -45.89 97.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.21 -39.01 93.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.43 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.2 mt-10 -62.4 -45.9 91.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.627 0.251 . . . . 0.0 111.12 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.28 -42.61 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.832 0.348 . . . . 0.0 111.505 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.94 -27.9 64.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.908 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.79 -34.19 15.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.805 0.336 . . . . 0.0 111.905 -177.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -100.61 19.76 16.35 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.381 -176.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -55.31 -41.4 72.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.604 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 C--O 1.255 1.347 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.469 175.134 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.719 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 120.716 0.293 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.64 -39.06 11.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -174.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.14 -44.04 85.33 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -58.46 -39.64 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.784 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -71.95 -42.4 66.64 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.64 -53.28 32.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.441 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.558 ' HA ' F22D ' A' ' 201' ' ' 7BU . 68.3 ttt-85 -64.43 -43.36 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.895 178.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -58.93 -44.25 91.31 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -68.31 -16.56 63.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.518 . . . . 0.0 110.641 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' O ' HG21 ' A' ' 14' ' ' VAL . . . -80.76 -50.35 5.3 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.63 -44.36 77.06 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.215 0.531 . . . . 0.0 109.749 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.65 -44.62 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.724 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.37 -40.19 95.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.69 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 10' ' ' GLY . 95.6 t -64.42 -46.9 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.981 0.42 . . . . 0.0 110.45 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 78.6 mt-30 -58.83 -42.85 90.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.026 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.13 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.981 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.71 -38.23 74.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.4 -40.12 96.35 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 21.2 mmt180 -65.16 -35.96 82.74 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.252 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.14 -36.76 78.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.484 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' A' ' 25' ' ' ASP . 3.1 mmm180 -65.97 -47.69 73.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 53.5 mm-40 -67.99 -29.97 69.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.256 -176.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.9 mt -76.48 -35.97 27.54 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -72.07 -43.4 64.92 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.664 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.428 ' CG ' HH21 ' A' ' 21' ' ' ARG . 20.1 m-20 -63.45 -32.69 74.21 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.292 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 47.3 mmtm -89.08 0.49 56.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.274 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.46 29.31 74.92 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 114.408 0.523 . . . . 0.0 114.408 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.71 76.89 4.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.552 0.676 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.51 -28.02 58.82 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.836 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.17 -48.79 69.57 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.434 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -74.1 -32.51 63.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 32.3 tp -60.2 -48.19 82.76 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.921 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.82 -46.1 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.72 -40.15 91.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.9 t -69.85 -34.85 62.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 mt -60.43 -42.92 97.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.206 -0.309 . . . . 0.0 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.81 -39.01 92.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.232 0.539 . . . . 0.0 109.665 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.577 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.4 tt0 -64.66 -44.07 91.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.32 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.4 mm -60.46 -48.97 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.215 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.64 -39.78 81.51 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.391 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -70.08 -35.34 74.12 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.277 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.3 mt -66.39 -36.16 82.16 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.0 mt -61.31 -43.14 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.65 -44.79 92.8 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -63.61 -35.86 81.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.992 0.425 . . . . 0.0 111.245 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.74 -44.61 32.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.287 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.426 ' HG3' F23B ' A' ' 201' ' ' 7BU . 72.1 ttt-85 -68.64 -32.47 72.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 178.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -60.04 -34.78 73.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.982 0.42 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.23 -28.79 61.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.218 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -72.3 -30.3 64.66 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.468 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -78.12 -11.9 59.95 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.805 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -105.08 10.12 34.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.818 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -125.86 -48.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.536 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 63.09 29.16 16.25 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.995 0.426 . . . . 0.0 111.571 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -141.31 131.92 25.53 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.086 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.13 139.23 51.55 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.992 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.5 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -71.76 -22.27 61.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.387 0.613 . . . . 0.0 109.449 177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -154.01 123.17 6.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.48 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.4 m -67.69 -44.73 77.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.023 0.439 . . . . 0.0 111.204 -176.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -63.16 -34.26 77.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.663 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.73 93.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.615 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.98 95.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.926 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.59 -42.76 99.32 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.54 -31.29 72.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.683 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' HG22 ' A' ' 69' ' ' VAL . . . -62.24 -47.5 89.3 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.727 177.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 52.0 m-20 -58.66 -44.81 90.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.939 0.4 . . . . 0.0 110.43 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -62.2 -41.0 97.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.072 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.402 ' CD2' F21C ' A' ' 201' ' ' 7BU . 77.9 t90 -60.48 -39.92 89.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 178.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 65' ' ' GLY . 94.7 t -63.41 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 78.0 mm-40 -65.53 -43.15 90.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.7 -42.14 98.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.451 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -60.55 -45.14 95.0 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.651 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.566 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.5 mm-40 -61.56 -44.42 97.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.1 mtt180 -64.03 -34.76 78.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.94 0.4 . . . . 0.0 110.129 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.74 -48.09 78.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.738 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -64.0 -40.24 95.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.382 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 50.5 mt-10 -63.19 -33.38 75.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.058 0.456 . . . . 0.0 110.161 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.44 74.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.8 mt -71.82 -36.74 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -69.19 -37.85 78.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.206 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -84.59 -7.81 59.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.352 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.8 27.82 70.08 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.842 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.48 96.89 10.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -69.86 -32.7 71.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.905 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.534 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.2 m -66.66 -30.09 70.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.47 -49.57 76.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.137 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.13 -45.22 67.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.198 0.523 . . . . 0.0 110.92 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.02 -36.67 78.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.043 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 48.8 tp -63.81 -43.38 96.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 28.5 tp10 -62.27 -45.16 94.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.507 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.59 -34.12 75.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.641 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.9 mt -60.46 -47.32 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.051 0.453 . . . . 0.0 110.093 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 43.4 mt-10 -61.06 -43.27 99.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.725 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 95.7 mt-30 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 0.0 111.249 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.51 71.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.206 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.559 ' HA ' F22C ' A' ' 201' ' ' 7BU . 4.6 tt -61.2 -46.82 88.89 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.952 0.406 . . . . 0.0 110.795 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -62.44 -30.5 71.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -73.81 -44.37 56.05 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.44 -46.64 94.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.048 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -66.2 -31.93 73.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 0.0 109.537 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.98 -46.56 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.06 -42.26 60.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.47 -23.03 66.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -102.7 -0.56 31.51 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.182 0.515 . . . . 0.0 109.846 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt 59.2 33.89 22.91 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.68 0.752 . . . . 0.0 109.514 -177.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 68.7 -59.79 0.45 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.322 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.336 -179.326 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.767 F21D H3C1 ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 120.566 0.222 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.48 155.83 39.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 0.0 111.808 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.35 -21.46 66.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.044 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.93 -51.36 64.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.266 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.61 -24.98 67.86 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.682 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.51 -48.72 38.25 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.596 ' HA ' F22D ' A' ' 201' ' ' 7BU . 7.9 mtp180 -67.25 -36.95 82.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.526 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.1 -30.85 71.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.504 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -88.27 -18.21 29.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.254 0.55 . . . . 0.0 110.188 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.96 -48.39 6.12 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.84 -37.07 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.715 0.293 . . . . 0.0 110.743 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.78 -45.28 93.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.1 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.53 -39.77 92.27 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.625 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 93.6 t -64.35 -47.19 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.4 -45.26 88.7 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.935 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.5 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.255 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.32 -39.0 88.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.943 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.5 mt-30 -65.2 -40.05 93.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.903 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -62.16 -37.15 84.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.055 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.99 -45.55 88.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.479 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.78 -51.36 69.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.597 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.22 -35.77 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.792 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.498 ' CD2' HD21 ' A' ' 91' ' ' LEU . 46.6 t80 -68.58 -47.12 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.675 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -61.83 -31.06 71.27 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -82.39 -1.55 50.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.22 27.47 57.71 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 114.153 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -91.75 87.31 6.24 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.794 -0.763 . . . . 0.0 111.589 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.78 -29.12 64.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.293 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.44 -50.02 66.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.1 t -74.88 -32.31 61.83 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.031 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.652 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.3 tp -61.58 -47.65 84.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.29 -42.09 94.75 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.44 -40.93 85.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.3 t -66.3 -32.76 59.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.033 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.08 -39.6 82.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.641 0.258 . . . . 0.0 110.4 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.12 -32.97 74.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 109.942 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.1 tp10 -67.36 -43.9 80.32 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 43' ' ' ILE . 47.8 mm -62.35 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.844 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 48.1 mt-10 -56.7 -41.48 77.47 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.352 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.51 -35.43 73.21 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 71.8 mt -68.23 -35.28 77.7 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.797 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -59.86 -44.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 71.5 mm-40 -69.63 -39.28 77.26 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.419 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.4 -44.59 96.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.407 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -70.17 -42.59 72.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.371 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -66.86 -31.78 72.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.563 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 53.2 mm-40 -60.71 -36.85 79.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 111.354 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 94.7 mt -75.57 -28.82 59.12 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.038 0.447 . . . . 0.0 110.029 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -68.62 -28.75 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.673 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -72.37 -12.32 61.07 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.331 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -116.09 13.27 15.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.021 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 23.9 mmm180 -96.03 140.71 30.38 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.783 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -77.55 147.32 35.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 57.78 -161.98 0.22 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.235 0.334 . . . . 0.0 110.809 -175.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.55 -11.35 13.05 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.723 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 69.68 -54.83 0.59 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.799 0.84 . . . . 0.0 111.166 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -154.51 120.52 5.26 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 p -73.27 -40.59 64.48 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.348 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 tp10 -65.58 -40.11 92.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.23 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.2 93.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.72 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -62.68 -44.57 95.91 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.931 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.522 ' OE1' ' HE3' ' A' ' 100' ' ' LYS . 34.5 mt-30 -65.35 -34.55 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.52 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -43.02 99.88 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.651 176.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.39 -45.69 87.83 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 120.973 0.416 . . . . 0.0 110.153 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.08 -42.49 96.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.848 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.418 ' CG ' F21C ' A' ' 201' ' ' 7BU . 70.7 t90 -62.84 -39.21 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.391 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 65' ' ' GLY . 81.8 t -65.15 -41.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.09 -36.01 81.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.486 0.66 . . . . 0.0 109.592 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -69.28 -42.26 75.73 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.031 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.65 -37.22 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.058 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -58.65 -45.02 90.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -64.08 -39.16 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.41 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.441 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.8 t80 -63.02 -48.77 77.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.459 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -58.39 -46.4 86.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.695 177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.75 -34.26 75.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.13 -30.94 67.12 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.0 mt -74.32 -41.25 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.99 -32.05 73.46 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.094 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -85.13 -3.25 58.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.817 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.81 26.21 73.92 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.7 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.535 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -92.53 76.78 5.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.587 0.708 . . . . 0.0 111.156 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.4 -25.31 49.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.726 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -60.15 -50.6 73.05 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.494 0.664 . . . . 0.0 110.295 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -72.85 -30.92 64.39 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.727 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 50.3 mt -60.22 -47.06 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.9 -45.5 90.13 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.04 -46.0 65.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.695 0.283 . . . . 0.0 111.707 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.11 -33.11 75.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.541 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.498 HD21 ' CD2' ' A' ' 24' ' ' PHE . 42.4 tp -63.53 -43.04 98.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.975 0.417 . . . . 0.0 110.202 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.41 -44.67 95.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.139 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.726 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.99 -47.28 85.51 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.345 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.0 tt0 -61.68 -46.21 90.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.833 -178.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -68.89 -41.06 78.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.994 0.426 . . . . 0.0 111.459 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.57 80.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.571 ' HA ' F22C ' A' ' 201' ' ' 7BU . 8.7 tt -67.15 -44.99 78.42 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.504 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.4 mm-40 -61.89 -36.3 80.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.2 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.522 ' HE3' ' OE1' ' A' ' 64' ' ' GLN . 27.9 ttpt -70.87 -38.44 73.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.404 -176.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.423 HD11 F21C ' A' ' 201' ' ' 7BU . 74.6 mt -62.59 -41.35 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.418 HH11 HG22 ' A' ' 14' ' ' VAL . 35.3 mtp85 -61.83 -38.27 87.56 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 47.9 mt-10 -60.47 -38.54 84.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.847 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.22 -38.98 86.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.46 63.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -85.59 -6.11 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 70.84 24.55 4.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.552 0.741 . . . . 0.0 112.001 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt 63.05 172.36 0.15 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.729 0.776 . . . . 0.0 112.78 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.9 t30 . . . . . 0 C--N 1.311 -1.09 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.325 178.098 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' 7BU . . . . . 0.71 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.2 mt -49.81 -38.42 34.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.698 174.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -70.23 -44.61 68.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.521 0.2 . . . . 0.0 111.282 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.62 -32.11 73.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.854 0.359 . . . . 0.0 110.957 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -87.97 -19.11 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.215 0.531 . . . . 0.0 110.338 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -81.21 -42.74 9.15 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.56 -47.87 78.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.923 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -64.93 -40.43 95.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.426 HD23 ' HB2' ' A' ' 42' ' ' LEU . 3.4 tm? -60.96 -46.44 90.71 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.107 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.604 HG21 ' HD2' ' A' ' 102' ' ' ARG . 73.0 t -63.56 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.437 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.59 -41.65 81.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.4 80.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.226 0.536 . . . . 0.0 109.995 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -64.8 -39.52 93.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.073 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -65.98 -37.44 85.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.63 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.16 -35.54 80.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.769 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.46 -36.89 83.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.93 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.48 -44.74 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.842 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.69 -51.85 67.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.303 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' A' ' 35' ' ' VAL . 81.4 mt -57.71 -35.39 50.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.485 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.3 -47.4 70.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -63.41 -27.07 69.04 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.263 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.43 -4.07 58.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.487 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.77 27.92 56.41 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.301 -0.476 . . . . 0.0 114.081 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.01 84.85 5.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.432 0.616 . . . . 0.0 110.838 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -57.0 -28.42 62.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.412 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.13 -49.38 70.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.041 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -73.58 -31.82 63.8 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.13 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.7 tp -60.0 -45.4 92.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.412 -177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.22 -42.65 98.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.68 0.276 . . . . 0.0 111.475 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.12 -43.75 97.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.108 0.48 . . . . 0.0 110.647 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 23' ' ' ILE . 53.0 t -70.28 -35.44 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 81.8 mt -60.88 -36.58 79.57 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.963 0.411 . . . . 0.0 110.275 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 53.0 mm-40 -70.56 -40.65 73.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp10 -62.17 -43.2 99.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.356 0.598 . . . . 0.0 109.6 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 43' ' ' ILE . 61.7 mt -63.36 -47.04 93.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.398 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -57.28 -40.48 77.83 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.69 178.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 51.4 mm-40 -65.99 -38.98 89.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 110.196 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.3 mt -69.36 -36.26 76.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.0 mt -61.53 -46.19 97.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 81.8 mm-40 -63.13 -41.88 99.4 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.407 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.66 -40.84 96.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.323 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -78.54 -44.0 25.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -65.17 -38.05 89.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.755 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -58.1 -33.52 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.26 -37.43 87.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.195 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -77.65 -33.0 53.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 . . . . . 0 CA--C 1.51 -0.561 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.42 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.67 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.44 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.199 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.62 -44.95 95.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.205 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.42 -29.87 65.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.57 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.3 -49.32 66.65 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.74 -37.32 87.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.874 0.368 . . . . 0.0 110.717 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -62.53 -40.75 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.258 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -61.78 -37.95 86.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 65' ' ' GLY . 58.3 t -65.54 -38.88 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.449 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 77.8 mt-30 -68.7 -38.71 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.214 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.83 -39.26 93.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.831 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 28.6 mt-30 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.378 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 99.1 mtt180 -67.31 -37.14 82.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.0 -47.82 83.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.646 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -65.4 -36.71 84.79 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.987 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 37.8 mt-10 -61.55 -36.84 81.75 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.73 -30.54 68.18 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.16 -40.42 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.86 -33.6 75.06 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.45 -6.13 58.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.86 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.77 27.61 73.04 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.336 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.623 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t70 -91.35 96.97 10.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -72.29 -33.13 67.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.221 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.74 -49.62 74.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.795 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -65.64 -30.72 71.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.726 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.9 mt -59.02 -47.5 84.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.619 0.247 . . . . 0.0 111.032 -178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.34 -41.14 98.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.189 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -68.93 -46.64 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 111.359 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.45 -33.58 76.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.87 -42.92 99.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.229 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.15 -45.03 95.22 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.045 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.82 -35.77 81.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.009 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.18 -48.27 76.57 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.822 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.935 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -64.95 -42.12 94.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.061 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -42.72 87.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.941 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.97 -46.88 87.32 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.719 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.817 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 100' ' ' LYS . 9.6 mtpm? -71.57 -44.13 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.559 0.219 . . . . 0.0 111.439 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 97' ' ' ALA . 95.9 mt -60.94 -46.21 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.604 ' HD2' HG21 ' A' ' 14' ' ' VAL . 42.0 mtp85 -59.0 -42.87 91.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.587 0.232 . . . . 0.0 111.497 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.57 -46.02 91.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.906 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.1 mt -65.83 -42.8 90.08 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.816 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 mt -48.64 -51.31 28.9 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.007 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -64.68 -44.53 90.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.722 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.549 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 54.1 tt0 -60.12 -47.57 85.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.288 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 p -67.59 -21.82 65.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.76 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.35 -47.62 16.56 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 177.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -56.46 -42.04 77.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.104 -0.548 . . . . 0.0 110.723 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 51.7 mt-10 -61.25 -46.07 91.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.302 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.77 -44.77 96.24 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 97.7 t -60.63 -47.61 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.736 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.33 -38.94 74.86 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.395 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.98 77.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -67.21 -38.98 86.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.422 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 87.0 mt-30 -62.4 -37.4 85.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 0.0 109.88 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.578 ' O ' HG12 ' A' ' 23' ' ' ILE . 5.9 ttp180 -68.75 -35.63 77.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.908 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.78 -39.4 88.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -64.47 -46.55 82.58 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.755 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 28.2 tt0 -61.21 -50.01 74.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.896 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 19' ' ' ARG . 48.7 mm -54.68 -37.29 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -70.31 -46.66 63.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.164 0.507 . . . . 0.0 109.941 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.55 -22.03 64.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.326 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 50.9 mtmt -93.09 -6.53 47.87 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.83 26.9 61.1 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.471 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -87.17 80.79 8.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.595 . . . . 0.0 110.021 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.46 -31.01 65.51 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.191 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.91 -48.15 77.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.447 0.641 . . . . 0.0 109.681 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.443 ' OG ' HD12 ' A' ' 23' ' ' ILE . 86.5 p -71.75 -31.01 66.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.956 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 50.0 tp -59.65 -40.97 89.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.285 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 33.7 tt0 -58.37 -44.6 88.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.563 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.27 -39.12 93.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.78 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' ILE . 96.1 t -70.38 -38.23 73.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.753 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.4 mt -61.48 -37.27 83.01 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 41.4 mt-10 -67.21 -40.14 86.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.0 109.854 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.4 mt-10 -67.71 -42.28 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.189 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 43' ' ' ILE . 73.2 mt -63.58 -48.59 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 13.3 tm-20 -57.82 -38.26 75.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.86 -40.48 83.64 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.001 0.429 . . . . 0.0 110.571 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 97.3 mt -68.94 -35.73 77.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.7 mt -60.94 -45.55 98.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 74.0 mm-40 -65.65 -44.81 85.23 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.271 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.76 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.68 -44.61 32.97 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.822 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 24.2 ttt180 -71.5 -31.51 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 93.9 mt-30 -58.34 -31.32 67.46 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.261 0.553 . . . . 0.0 110.501 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.43 -36.14 65.89 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.955 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.87 -34.45 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.488 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.508 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 63.7 m-20 . . . . . 0 N--CA 1.466 0.374 0 CA-C-O 121.2 0.524 . . . . 0.0 110.484 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 29.6 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.604 0.24 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.53 92.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.811 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.29 93.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.38 -44.67 94.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.983 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.549 ' OE1' ' HA ' ' A' ' 101' ' ' ILE . 3.4 pt20 -70.54 -29.0 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.969 0.414 . . . . 0.0 110.129 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.78 -48.39 77.32 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.9 m-20 -63.54 -37.55 87.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.733 0.302 . . . . 0.0 110.711 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -61.75 -42.42 98.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.285 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -61.91 -37.95 86.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.767 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 65' ' ' GLY . 94.2 t -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.981 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 70.9 mm-40 -62.18 -42.61 99.44 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.01 -39.2 91.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -63.98 -42.49 97.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.379 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 92.7 mt-30 -60.85 -44.57 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.079 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 83.4 mtt180 -65.41 -36.89 85.31 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.54 -47.98 83.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.166 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -65.42 -37.57 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.16 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -38.1 87.53 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.743 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.03 -33.01 74.77 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.531 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.73 -34.75 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.179 0.514 . . . . 0.0 109.685 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -73.21 -34.98 66.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.925 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -81.57 -7.86 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.499 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.16 24.64 76.45 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.657 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.439 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t0 -92.41 96.27 10.15 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -73.48 -31.59 63.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.969 -177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.63 -44.68 93.17 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.463 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.9 m -65.74 -30.54 71.21 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.573 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.9 mt -59.03 -47.25 85.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.161 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -61.81 -41.65 98.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.907 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 -45.22 68.34 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.95 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.84 -36.68 84.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.76 -44.93 94.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.411 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.11 -41.77 85.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.837 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.4 mt -64.56 -48.47 74.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.767 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 29.5 tt0 -60.79 -45.74 93.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.65 -39.7 91.68 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.204 0.526 . . . . 0.0 110.797 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.559 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.06 -45.36 70.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.519 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.74 -46.01 91.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.996 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 73.4 mm-40 -60.49 -41.14 93.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.328 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -72.14 -37.02 69.51 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.865 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 97' ' ' ALA . 79.4 mt -61.58 -46.97 95.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.953 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -62.18 -35.25 78.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 109.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.18 -47.46 79.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.916 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.8 mt -73.86 -39.78 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.922 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.749 0 CA-C-O 120.792 0.329 . . . . 0.0 111.374 -178.872 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.3 tptt . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.08 -53.11 21.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -67.22 -37.55 83.79 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.725 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.79 -44.78 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.935 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -73.32 -19.69 60.97 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.959 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -75.54 -49.25 9.34 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.81 -45.03 82.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.487 -0.357 . . . . 0.0 110.915 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.13 -42.31 99.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.374 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.18 -42.15 98.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.748 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.565 HG21 ' HD2' ' A' ' 102' ' ' ARG . 87.9 t -61.74 -47.27 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.834 0.35 . . . . 0.0 110.516 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -58.12 -45.11 87.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.54 77.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 110.781 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 63.9 t80 -64.56 -39.35 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.247 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -62.99 -38.28 90.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.598 ' O ' HG12 ' A' ' 23' ' ' ILE . 98.5 mtt180 -63.22 -34.23 77.2 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.218 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' C ' HD13 ' A' ' 20' ' ' LEU . 3.1 tm? -58.92 -40.22 83.89 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.69 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -66.42 -42.01 88.39 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.7 -33.05 74.79 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.418 -177.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 19' ' ' ARG . 49.6 mm -78.74 -38.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.516 0.674 . . . . 0.0 109.574 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -72.69 -46.45 53.71 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.662 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.33 -26.18 68.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.152 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -92.68 0.78 57.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.428 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.56 28.25 71.03 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -86.12 79.69 9.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.471 0.636 . . . . 0.0 110.287 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.14 -32.78 64.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.34 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.26 -49.72 72.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.65 0.262 . . . . 0.0 111.379 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -74.91 -32.21 61.74 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.0 tt -59.59 -47.22 86.41 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.167 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.17 -44.21 87.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.96 -41.61 95.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 39' ' ' ILE . 73.4 t -63.85 -34.54 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.08 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.1 mt -59.28 -41.38 88.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.513 0.197 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.8 -32.88 72.92 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.627 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.26 -37.37 77.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.942 0.401 . . . . 0.0 110.015 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -63.55 -48.78 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.336 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.24 -35.91 72.41 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.177 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.2 -45.13 89.63 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.414 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -36.45 78.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.323 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.5 mt -62.32 -48.01 90.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.632 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -63.94 -45.56 88.66 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.73 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.007 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.0 -43.94 41.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 47' ' ' ARG . 23.6 ttt180 -68.41 -32.32 72.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.54 -35.24 72.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -70.19 -32.45 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.363 0.601 . . . . 0.0 109.77 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.73 -30.49 64.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 178.525 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.93 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.132 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.32 83.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.631 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.93 -29.36 66.49 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.39 -47.84 80.19 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.21 -37.8 86.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.474 0.178 . . . . 0.0 111.431 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -42.8 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.593 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -61.31 -40.08 92.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 0.0 110.169 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' GLY . 91.9 t -67.82 -40.43 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.03 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.87 -46.51 78.18 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.358 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.99 -38.6 91.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 77.9 t80 -68.86 -40.51 79.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.36 . . . . 0.0 110.577 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 21.1 tp60 -60.43 -45.81 92.3 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.2 -32.39 73.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.135 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 72' ' ' PHE . 69.3 t80 -59.44 -48.09 82.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.814 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' HD13 ' A' ' 36' ' ' LEU . 11.7 ttt180 -65.59 -37.26 86.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.75 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 46.6 mt-10 -61.14 -34.2 74.62 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.46 82.33 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.709 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.29 -43.77 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.096 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -64.23 -34.61 78.5 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -82.2 -2.89 53.77 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.376 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.78 20.42 79.77 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.594 -0.812 . . . . 0.0 113.567 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -92.97 97.6 10.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.991 0.424 . . . . 0.0 110.618 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -78.07 -28.68 48.89 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.463 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.32 -50.87 72.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.231 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 p -64.11 -28.94 70.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.119 -177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 65.4 mt -59.33 -47.88 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.657 0.265 . . . . 0.0 111.675 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.86 -44.38 73.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.94 0.4 . . . . 0.0 111.038 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.04 -30.98 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 91' ' ' LEU . 28.5 mt -63.62 -43.57 96.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.88 -42.53 97.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.97 -42.32 99.8 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.869 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.16 -44.68 96.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.96 -37.73 88.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.528 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 51.6 mt-30 -67.95 -43.92 77.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.363 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.84 -47.51 86.02 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -62.01 -37.56 85.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.048 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 97.2 mttt -68.62 -44.29 74.56 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.637 0.256 . . . . 0.0 111.178 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.98 -46.72 96.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.565 ' HD2' HG21 ' A' ' 14' ' ' VAL . 8.9 mtp180 -59.08 -41.05 87.07 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.464 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.27 -46.53 89.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.907 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.92 -42.21 85.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.72 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.32 0.581 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.09 -46.01 25.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -67.67 -37.2 82.02 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.364 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 21.8 tm0? -61.77 -47.44 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.25 -23.39 67.04 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.201 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.95 -48.87 10.67 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -57.18 -40.62 77.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.449 0.3 . . . . 0.0 110.608 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 13.8 mm-40 -61.95 -43.9 97.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.037 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.8 t -62.46 -43.74 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.299 0.571 . . . . 0.0 109.845 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.74 -45.55 85.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.449 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.14 82.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.16 -39.46 94.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.065 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -64.68 -43.95 91.9 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 76.7 ttt180 -62.63 -35.96 81.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.818 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' A' ' 39' ' ' ILE . 40.5 tp -61.89 -40.96 97.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.257 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.6 tpt180 -65.66 -40.61 92.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 36.4 mt-10 -61.98 -52.48 63.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.487 HG13 HG21 ' A' ' 35' ' ' VAL . 44.7 mm -57.47 -35.98 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.48 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.7 -47.97 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.708 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -64.56 -21.23 66.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.394 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 74.8 mmtt -88.66 -9.59 51.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.035 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 28.43 57.06 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.405 -0.426 . . . . 0.0 113.419 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -95.72 90.43 5.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.334 0.567 . . . . 0.0 111.604 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.15 -32.4 64.24 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -67.69 -48.27 67.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.742 0.306 . . . . 0.0 111.397 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -72.48 -30.34 64.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.917 0.389 . . . . 0.0 109.971 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.4 tp -60.05 -40.18 88.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.274 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.83 -40.1 87.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.3 0.571 . . . . 0.0 110.184 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -69.26 -45.32 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.056 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.487 HG21 HG13 ' A' ' 23' ' ' ILE . 79.9 t -66.3 -35.12 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 111.033 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -60.85 -33.9 73.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.721 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.27 -38.31 75.05 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 7.6 mm-40 -62.58 -44.74 95.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 43' ' ' ILE . 81.1 mt -63.62 -47.93 89.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.087 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.06 -37.36 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.633 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.32 -44.96 86.14 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.261 0.553 . . . . 0.0 110.248 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.2 mt -69.76 -36.6 75.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.754 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.6 mt -61.46 -47.65 92.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.579 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 83.3 mm-40 -65.47 -45.76 82.46 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.49 -34.45 75.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -76.6 -43.95 36.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.163 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 47' ' ' ARG . 19.1 ttt180 -66.72 -30.93 71.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.273 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.8 mt-30 -57.65 -37.4 73.3 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.699 0.285 . . . . 0.0 110.839 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.47 -33.64 76.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.23 0.538 . . . . 0.0 110.233 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -75.32 -34.25 61.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.515 -179.516 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.233 0.23 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.05 83.76 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.056 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.79 -35.23 78.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.403 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.467 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.19 -41.01 86.57 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.01 -40.3 98.29 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -44.57 94.86 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.726 0.298 . . . . 0.0 110.451 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.45 -39.84 95.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.2 -38.16 82.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.985 0.421 . . . . 0.0 110.242 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 93.3 t -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.455 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.84 -39.76 83.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.336 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.3 -39.86 94.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.825 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -63.2 -39.15 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.325 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.33 -42.26 98.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.189 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -68.23 -35.16 77.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.144 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.2 -48.09 81.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.616 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -58.75 -39.43 80.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.28 -36.23 82.44 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.145 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.49 -31.36 69.59 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.592 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.61 -37.58 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.71 -32.48 72.32 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.726 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.46 -11.58 58.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.787 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.34 26.2 73.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.051 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.6 t70 -93.17 100.26 12.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.052 0.453 . . . . 0.0 110.218 -176.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -69.44 -31.54 69.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -175.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.8 m-20 -64.82 -51.13 63.76 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.192 -176.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 p -65.72 -31.53 72.57 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.9 mt -59.82 -48.04 83.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.277 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 85' ' ' ASP . 76.4 mm-40 -68.35 -45.24 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.945 0.402 . . . . 0.0 111.196 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.2 mt -69.27 -37.43 77.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.17 -42.83 99.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.56 -42.53 98.33 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.209 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.98 -40.18 94.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.187 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 79.1 mt -60.78 -45.59 93.78 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.51 -44.98 95.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.549 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tt0 -68.18 -42.91 79.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.896 0.379 . . . . 0.0 111.091 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.7 -41.1 84.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.134 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.32 -46.91 88.31 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.336 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.86 -35.65 80.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.319 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 65.5 mttm -71.47 -40.62 70.16 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.177 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 97' ' ' ALA . 96.3 mt -61.55 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -58.21 -37.14 74.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.957 0.408 . . . . 0.0 111.056 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.1 -46.11 78.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.808 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.63 -42.44 61.44 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.714 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.58 -51.13 39.33 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.139 172.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -63.59 -44.1 95.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -60.78 -43.52 97.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p -68.65 -20.18 64.44 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -72.84 -44.39 38.12 Favored Glycine 0 N--CA 1.438 -1.218 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.536 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 6.8 m-20 -57.13 -42.71 81.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.077 -0.561 . . . . 0.0 110.857 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.03 -43.56 98.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.13 -41.33 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 96.6 t -63.05 -44.34 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.26 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 95.7 mt-30 -57.5 -44.57 85.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.414 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.31 81.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.797 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.72 -39.16 90.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.476 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 95.9 mt-30 -64.02 -37.22 86.64 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.175 0.512 . . . . 0.0 109.783 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -69.34 -36.02 76.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.382 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.31 -43.57 98.52 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.971 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.4 mmm180 -63.49 -46.71 84.9 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.769 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.05 -52.53 64.55 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.851 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.585 HG23 ' HB3' ' A' ' 28' ' ' ASP . 77.2 mt -60.99 -36.51 72.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.058 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -68.79 -47.93 64.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 109.839 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.08 -23.66 66.64 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.462 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -90.37 1.73 56.29 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.873 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.63 56.62 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 114.367 0.507 . . . . 0.0 114.367 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.585 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.9 t0 -91.14 83.19 5.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.482 0.641 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.76 -34.67 67.8 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.404 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.07 -49.52 69.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.5 t -74.39 -30.4 61.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.871 0.367 . . . . 0.0 110.342 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -60.26 -42.43 95.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.563 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 36' ' ' LEU . 44.7 mt-10 -62.72 -40.78 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.308 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.3 -41.0 98.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.382 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 23' ' ' ILE . 80.1 t -70.09 -33.21 54.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.403 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.0 mt -59.02 -40.42 84.93 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.9 tt0 -65.57 -38.93 90.97 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.945 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.5 -41.84 99.09 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.489 ' O ' HG13 ' A' ' 43' ' ' ILE . 77.4 mt -63.37 -47.83 90.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.372 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.87 -41.21 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.65 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 49.1 mt-10 -63.3 -44.22 95.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.665 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.26 -36.21 83.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.356 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 39' ' ' ILE . 83.0 mt -62.22 -47.26 93.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.127 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -64.93 -45.66 84.88 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.174 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.49 -33.89 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.808 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -76.23 -43.0 44.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.063 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -68.04 -37.11 80.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.668 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.87 -31.87 68.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.3 -32.46 70.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -77.71 -31.16 52.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.703 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.063 -178.541 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.808 0.337 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.91 97.53 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.358 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 110.771 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -64.68 -45.28 87.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.49 -28.97 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.012 0.434 . . . . 0.0 110.424 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.93 -46.88 88.03 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -65.34 -36.32 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.442 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.6 -41.3 98.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.723 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.56 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.949 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.61 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 71.9 t -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.395 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.465 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 64.8 tt0 -66.44 -43.99 84.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.569 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.15 -37.01 81.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.9 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.79 -37.05 83.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.19 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.7 mt-30 -59.57 -43.55 93.59 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 70' ' ' GLN . 10.1 mpt_? -65.81 -39.87 91.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.126 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.34 -48.28 82.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.841 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -61.5 -43.28 99.15 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.26 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.14 -38.54 91.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.86 87.87 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.06 -41.95 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.596 0.236 . . . . 0.0 111.086 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.52 -32.66 74.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.942 0.401 . . . . 0.0 110.696 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -84.46 -0.41 52.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.869 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.61 15.45 70.91 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.138 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.602 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 16.1 t0 -83.47 94.28 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.219 0.533 . . . . 0.0 110.558 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -31.46 57.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.334 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.474 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -67.43 -30.68 70.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.477 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 78.6 mt -59.08 -46.69 87.64 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.459 -176.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.12 -46.24 85.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 110.731 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 11.3 mm100 -68.69 -46.84 67.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.491 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.76 -32.56 72.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -67.69 -40.9 84.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.792 0.33 . . . . 0.0 110.454 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 56.9 mm-40 -64.14 -38.15 90.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 68.0 mm-40 -62.06 -41.23 97.92 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.09 -46.55 86.87 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 31.6 tt0 -61.47 -46.82 88.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.354 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 97.0 mt-30 -63.67 -38.99 93.2 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.88 0.371 . . . . 0.0 111.153 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.69 76.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.247 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.77 -41.76 98.12 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.06 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.73 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.6 mm-40 -60.66 -41.55 95.23 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 74.3 mmtt -67.27 -44.41 79.41 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.648 0.261 . . . . 0.0 111.309 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.76 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -59.09 -43.25 91.81 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.877 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 21.1 mm-40 -60.14 -43.12 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.233 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.28 -40.11 71.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.571 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 120.879 0.371 . . . . 0.0 111.424 -178.877 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--O 1.235 0.311 0 CA-C-O 121.231 0.538 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.6 -44.63 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -68.48 -34.63 76.27 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.316 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 34.7 tt0 -65.74 -35.77 81.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.764 0.316 . . . . 0.0 110.645 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.5 p -85.19 -19.78 31.19 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.21 0.529 . . . . 0.0 109.949 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.37 -44.71 10.75 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -55.07 -46.63 75.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 122.55 0.34 . . . . 0.0 110.816 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 42.1 mm-40 -61.82 -44.99 95.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.422 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.25 -48.25 82.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.265 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.57 -48.31 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.58 -46.46 86.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.04 -36.06 77.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.63 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 84.8 t80 -66.13 -39.85 90.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.07 0.462 . . . . 0.0 110.322 178.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -64.2 -43.77 94.0 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 23' ' ' ILE . 31.5 tpt180 -64.08 -34.74 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.008 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 50.9 tp -59.13 -39.08 81.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.85 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.1 ttp180 -67.84 -35.89 79.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.307 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.52 -30.17 70.89 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.223 0.535 . . . . 0.0 110.414 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.443 ' CD1' HG21 ' A' ' 35' ' ' VAL . 79.0 mt -75.91 -34.42 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -69.6 -37.23 76.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.784 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.06 -32.94 71.41 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.959 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -87.61 -7.44 57.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.928 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.2 29.37 68.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.601 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -85.3 80.41 9.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.162 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 m-20 -56.3 -28.73 59.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.799 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.48 -50.37 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.03 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -75.23 -32.25 61.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -59.91 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.479 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 45.2 mt-10 -57.29 -46.25 83.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.79 0.329 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -67.01 -41.61 86.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.133 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.3 t -71.42 -36.24 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.4 mt -59.53 -38.86 82.13 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.527 0.203 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.4 mt-10 -64.68 -44.73 89.39 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.571 177.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 14.3 tp10 -62.2 -41.76 98.66 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.59 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 35' ' ' VAL . 41.3 mm -60.06 -49.18 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.5 tt0 -58.12 -39.33 78.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 46.4 mt-10 -70.4 -35.14 73.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.5 mt -65.25 -36.97 85.77 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.7 mt -60.86 -43.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.297 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 73.9 mm-40 -64.51 -44.45 90.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 89.3 mttt -62.16 -39.0 91.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -76.39 -44.6 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -63.0 -36.61 84.12 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.95 -32.75 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.533 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.6 -33.1 64.44 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -72.07 -30.2 64.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.192 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.514 -0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 178.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 120.477 0.179 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.81 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.42 96.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.488 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.99 -33.53 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.797 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -63.94 -39.99 95.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.74 -43.49 99.17 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.95 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.7 -40.57 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.981 0.42 . . . . 0.0 110.775 176.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.63 -37.64 82.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.693 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -62.54 -39.18 92.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' GLY . 73.6 t -65.29 -38.58 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.42 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -65.37 -45.17 85.17 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.082 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.87 91.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.389 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.4 -43.07 95.6 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.779 0.323 . . . . 0.0 110.221 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -64.85 -35.59 81.61 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -40.97 91.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.45 -47.84 80.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.171 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -63.57 -40.36 96.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.272 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' HG3' ' HE2' ' A' ' 81' ' ' LYS . 7.8 tp10 -63.15 -34.38 77.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.536 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.21 96.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.946 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 mm -60.39 -41.45 87.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 110.349 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.52 -37.14 86.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 77' ' ' GLU . 67.0 mttm -83.4 -7.45 59.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.797 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.8 25.38 75.23 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.605 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.42 96.46 10.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 -176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -72.51 -32.16 65.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -58.82 -48.4 81.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.208 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.1 m -69.14 -29.81 67.92 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 91.7 mt -59.68 -48.21 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -175.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.05 -46.66 87.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 111.273 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.03 -46.19 65.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.943 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.32 -34.41 76.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.761 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.36 -41.88 97.79 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 109.841 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -44.93 91.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.836 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.83 -36.87 82.44 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.914 0.388 . . . . 0.0 110.738 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.57 -45.21 95.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.873 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 30.2 mt-10 -61.83 -46.2 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -67.92 -35.78 79.03 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.489 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -68.63 -43.18 76.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.004 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.18 -45.0 96.39 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.367 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 93.0 mt-30 -60.45 -39.36 87.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.959 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.09 -40.04 71.78 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 97' ' ' ALA . 92.6 mt -59.77 -47.79 90.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.912 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -58.98 -45.0 91.67 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.75 -44.92 92.07 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.556 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.29 -43.32 95.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -177.293 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.578 ' HG3' HD11 ' A' ' 49' ' ' LEU . 16.8 tppt? . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 49' ' ' LEU . 3.6 mm? -49.17 -53.71 19.79 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -63.02 -45.63 91.44 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.119 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 12.8 mm100 -60.8 -46.5 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.3 p -65.35 -26.36 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -70.67 -52.19 16.81 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 26.9 m-20 -55.4 -44.9 76.59 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.021 176.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 37.8 mt-10 -61.68 -41.5 97.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.545 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.85 -42.73 98.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 10' ' ' GLY . 73.0 t -61.31 -44.24 98.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.286 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -57.28 -45.59 83.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.32 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB1' HG12 ' A' ' 39' ' ' ILE . . . -68.13 -40.21 82.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.36 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 91.5 t80 -65.36 -43.77 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.301 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.19 -41.38 94.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.048 0.451 . . . . 0.0 109.787 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' HG12 ' A' ' 23' ' ' ILE . 52.5 ttt180 -63.14 -35.21 79.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.884 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 75' ' ' PHE . 47.6 tp -59.68 -41.08 89.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.304 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -67.04 -36.74 82.74 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.932 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 50.9 mt-10 -68.46 -30.06 68.84 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.686 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 19' ' ' ARG . 40.4 mm -73.81 -34.83 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -69.99 -37.65 75.79 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.824 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 22' ' ' GLU . 69.3 m-20 -61.4 -32.66 72.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.299 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 71.9 mmtt -89.01 -5.29 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.418 -175.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.94 65.87 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.825 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.27 103.1 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.463 0.649 . . . . 0.0 109.67 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.8 -42.41 60.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.446 -172.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.78 -34.98 72.36 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.566 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -70.04 -29.85 66.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.367 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.04 -41.48 83.31 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.556 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.08 -38.85 90.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.094 0.473 . . . . 0.0 110.065 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.71 -41.19 68.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.954 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG21 HG13 ' A' ' 23' ' ' ILE . 72.0 t -72.14 -45.56 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 55.0 mt -61.0 -35.94 78.16 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.435 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.4 tt0 -64.39 -45.27 88.41 Favored 'General case' 0 N--CA 1.428 -1.532 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.028 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.95 -37.41 87.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.961 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG12 ' HB1' ' A' ' 16' ' ' ALA . 78.2 mt -63.54 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.542 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.2 mt-10 -57.21 -37.92 72.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.338 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 45.4 mt-10 -63.19 -45.59 91.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.066 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.09 -38.6 79.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.987 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.6 mt -63.35 -46.97 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.42 -44.16 88.24 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.02 -34.73 75.3 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -76.81 -41.22 45.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.864 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -69.59 -36.53 76.33 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.389 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -58.46 -30.43 66.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.834 0.35 . . . . 0.0 111.317 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.578 HD11 ' HG3' ' A' ' 5' ' ' LYS . 59.3 mt -63.48 -33.27 75.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.485 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.89 -30.63 40.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.678 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.47 0.552 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.782 177.825 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 41.5 tt0 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.792 0.33 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.39 -37.38 83.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.27 66.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.733 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.08 -42.62 80.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.7 mm100 -65.68 -42.8 90.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.938 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.59 -35.53 91.96 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.663 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.61 -42.62 97.16 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.979 0.418 . . . . 0.0 110.635 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 71' ' ' LEU . 65.7 mt-30 -62.45 -43.13 99.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.082 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -61.25 -38.09 85.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.62 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -65.46 -40.32 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.512 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.04 -37.08 80.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.187 0.517 . . . . 0.0 110.565 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 67' ' ' GLN . 7.6 mp -69.08 -42.67 75.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -67.05 -40.2 87.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.603 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 6.3 tp-100 -63.76 -36.83 85.17 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -63.91 -39.31 93.88 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.184 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 79' ' ' ILE . 86.6 t80 -60.17 -45.15 94.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.822 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -58.69 -44.65 90.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 40.8 mt-10 -62.73 -35.65 80.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.088 0.47 . . . . 0.0 110.145 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.89 69.81 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.481 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.532 HD11 ' CE2' ' A' ' 75' ' ' PHE . 59.7 mt -74.11 -41.09 51.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.409 0.623 . . . . 0.0 109.418 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.96 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.578 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -89.63 -1.64 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.71 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.25 26.7 74.06 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.408 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.624 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.6 t70 -93.05 97.2 10.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.123 0.487 . . . . 0.0 110.04 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.15 -27.99 59.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.031 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.98 -50.36 73.71 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.116 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.2 m -67.52 -30.61 70.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.566 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 84.7 mt -59.18 -47.42 85.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.547 0.213 . . . . 0.0 111.204 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -64.82 -36.97 86.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -67.72 -45.5 74.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 93' ' ' GLU . 88.2 mt -68.12 -31.36 70.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.463 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 57.6 mt -65.27 -38.54 90.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.889 0.376 . . . . 0.0 110.028 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.49 -47.03 85.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.919 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' OE1' ' HG ' ' A' ' 71' ' ' LEU . 8.5 pt-20 -72.92 -33.63 66.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.759 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.21 -47.23 77.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.716 0.293 . . . . 0.0 110.775 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.56 -46.06 91.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.582 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.04 -39.5 90.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.82 0.343 . . . . 0.0 111.256 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.496 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.75 -45.22 68.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.72 -45.37 94.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.19 -40.65 94.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.14 -41.13 82.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.533 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 97' ' ' ALA . 97.1 mt -61.93 -46.8 95.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.07 -40.34 89.18 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.516 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.68 -42.97 98.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.46 -44.14 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.957 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -175.853 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm . . . . . 0 C--O 1.235 0.324 0 CA-C-O 121.253 0.549 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.55 -54.44 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.857 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -63.91 -39.73 94.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.733 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 63.3 mm-40 -60.03 -46.39 89.67 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.942 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -65.66 -29.0 69.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 111.486 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -71.43 -51.76 15.61 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 24.1 m-20 -58.5 -42.43 87.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.197 . . . . 0.0 111.393 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 59.3 mm-40 -61.55 -40.43 94.68 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.989 0.423 . . . . 0.0 109.96 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.18 -43.48 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.648 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 10' ' ' GLY . 81.3 t -60.17 -43.27 92.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.377 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 73.7 mt-30 -58.11 -45.66 86.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.343 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.17 93.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.848 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.25 -41.53 99.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.62 -32.93 73.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -70.4 -35.52 73.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.8 -45.88 90.94 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.307 -177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.545 ' HG2' ' OD2' ' A' ' 25' ' ' ASP . 60.1 ttt180 -66.59 -39.47 88.43 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 119.831 -0.747 . . . . 0.0 111.83 -178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.2 -50.86 71.42 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -55.66 -36.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -67.91 -47.44 68.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.788 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.545 ' OD2' ' HG2' ' A' ' 21' ' ' ARG . 63.6 m-20 -62.82 -22.1 66.39 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.44 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -93.69 -1.66 54.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.017 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.32 27.96 58.54 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 113.938 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.54 81.06 3.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.616 0.722 . . . . 0.0 111.569 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.83 -26.79 59.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.726 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 13.2 m-20 -64.68 -49.56 70.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.723 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 t -75.63 -31.59 59.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.87 0.367 . . . . 0.0 110.421 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.5 tp -60.03 -46.64 88.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.611 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 15.6 pt-20 -60.21 -40.25 89.46 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.023 0.439 . . . . 0.0 110.802 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -65.45 -40.98 93.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.439 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 39' ' ' ILE . 65.7 t -67.79 -33.73 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.97 -37.4 79.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.383 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.3 -37.04 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.924 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 28.7 mm-40 -66.82 -45.32 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.023 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 43' ' ' ILE . 68.7 mt -61.79 -48.32 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.6 mt-10 -60.98 -36.72 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.671 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.81 -39.09 87.6 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.984 0.421 . . . . 0.0 110.658 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 99.2 mt -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.355 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.9 mt -61.57 -44.58 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.265 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 13.8 mm100 -62.56 -47.17 85.04 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.214 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.0 -35.19 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.211 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -75.94 -43.72 43.5 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.044 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -65.83 -36.29 83.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.771 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 15.1 mm100 -58.36 -30.65 66.92 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.63 -29.65 66.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.079 0.466 . . . . 0.0 110.254 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.45 -29.84 52.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.833 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.704 0.288 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.8 -37.67 76.37 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.332 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 88.2 tttt -70.06 -39.18 75.83 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.096 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -65.65 -39.89 91.88 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.49 -34.69 90.18 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.997 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.69 -40.52 97.38 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.139 0.495 . . . . 0.0 109.723 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.644 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 mm-40 -65.34 -42.11 93.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.261 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.38 -38.22 83.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.093 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 65' ' ' GLY . 92.9 t -67.17 -37.9 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.592 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.12 -43.18 78.97 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.476 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 69.8 mt -60.99 -40.14 92.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.716 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.78 -38.33 86.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.79 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 56.1 mt-30 -66.36 -35.88 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.022 0.439 . . . . 0.0 110.131 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.44 -38.17 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.597 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.83 -49.22 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.36 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' HD13 ' A' ' 36' ' ' LEU . 28.0 ttt180 -65.98 -35.88 81.78 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.085 177.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.54 -37.19 82.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.34 88.15 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.898 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.1 -42.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 120.612 0.244 . . . . 0.0 110.904 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -64.0 -35.86 82.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.1 3.14 52.8 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.437 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.25 13.36 70.29 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 121.104 -0.57 . . . . 0.0 114.146 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -80.67 96.36 6.87 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.052 0.453 . . . . 0.0 110.419 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -74.58 -34.84 62.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.03 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.27 -48.4 78.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.875 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -65.91 -29.63 70.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.898 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.8 mt -59.34 -47.46 85.32 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.454 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.22 -46.37 85.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 111.401 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.59 -45.42 75.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.52 -33.46 74.17 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 21' ' ' ARG . 54.6 tp -62.85 -44.79 95.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.11 -38.6 91.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.36 -38.39 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.988 0.423 . . . . 0.0 110.124 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.64 -43.58 98.58 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 11.5 tp10 -60.53 -45.05 95.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.925 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.68 -42.89 97.96 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 111.206 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.77 -39.08 73.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.036 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.77 -47.06 86.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.857 0.36 . . . . 0.0 110.286 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 84.6 mm-40 -62.51 -32.92 73.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.504 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -70.73 -43.06 69.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.203 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 97' ' ' ALA . 93.3 mt -60.63 -44.64 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.469 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.23 -44.07 83.47 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.223 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.0 -47.18 78.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.453 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.45 -42.68 82.7 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.878 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.257 0.551 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.98 -45.51 20.16 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -67.18 -40.59 86.57 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.641 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.08 -47.4 84.85 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.928 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 46' ' ' HIS . 18.5 p -65.5 -21.08 66.59 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.019 0.438 . . . . 0.0 111.456 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.04 -48.72 8.14 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -56.42 -41.46 76.43 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 122.595 0.358 . . . . 0.0 110.417 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.71 -47.5 85.98 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.333 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.72 -45.77 92.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.67 -48.36 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.198 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.81 -38.76 79.33 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 111.639 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.32 72.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.839 0.352 . . . . 0.0 110.74 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -67.23 -43.45 81.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.52 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.17 -38.33 90.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 109.935 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -69.35 -34.91 75.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.267 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.12 -41.15 92.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.179 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HG3' HD21 ' A' ' 91' ' ' LEU . 67.8 ttt180 -68.34 -40.18 81.65 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.32 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 32.5 mm-40 -60.82 -50.7 72.39 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 HG21 ' A' ' 35' ' ' VAL . 83.5 mt -58.91 -33.91 51.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.09 175.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.28 -47.69 67.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.618 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.5 -23.66 66.95 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.767 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 68.9 mttm -83.42 -4.75 58.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.33 28.17 64.15 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 114.34 0.496 . . . . 0.0 114.34 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.04 85.09 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.477 0.639 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -56.1 -30.96 62.8 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.649 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -66.25 -49.93 65.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.3 t -73.77 -35.27 64.95 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.16 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.83 -43.44 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.958 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.45 -43.8 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.19 -37.1 83.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.1 t -70.24 -34.25 57.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.459 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 94.3 mt -60.63 -36.53 78.86 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.17 -41.99 96.89 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.259 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.1 mm-40 -64.09 -44.68 91.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 35' ' ' VAL . 38.7 mm -61.97 -49.27 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.098 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 44.7 mt-10 -57.81 -41.24 81.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.879 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -41.12 75.66 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.097 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.4 mt -65.11 -35.75 82.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.773 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.9 mt -62.48 -46.73 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.639 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 71.5 mm-40 -62.78 -46.39 88.22 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.616 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.121 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.416 ' HB2' ' HB ' ' A' ' 9' ' ' THR . 83.4 t60 -76.84 -42.48 40.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 8.0 tmm_? -65.68 -35.82 81.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.203 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 99.3 mt-30 -58.14 -34.73 70.58 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.096 0.474 . . . . 0.0 111.379 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.47 -32.72 73.76 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.26 0.552 . . . . 0.0 110.061 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -74.49 -30.53 61.87 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.38 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 48' ' ' GLN . 38.4 m-20 . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 121.221 0.534 . . . . 0.0 110.075 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 32.9 tt0 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.12 99.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -38.45 88.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.08 97.49 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.554 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.3 mt-30 -67.41 -35.3 79.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -60.78 -47.36 91.61 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.862 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.24 -43.3 92.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.022 0.439 . . . . 0.0 110.53 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.73 -42.9 99.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.633 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.94 -39.38 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 92.2 t -65.75 -43.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.805 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 50.2 mt-30 -63.5 -42.75 98.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.85 -39.75 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.38 -39.04 85.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 97.0 mt-30 -59.71 -44.68 93.61 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -63.88 -39.18 93.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.077 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.99 -48.88 72.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 76' ' ' ARG . 5.1 tpt180 -61.09 -46.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.899 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.8 tt0 -61.02 -35.76 77.72 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.58 69.05 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.851 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.3 mt -73.4 -38.87 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -66.43 -35.51 80.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 34.8 mmtp -85.12 -5.25 59.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.672 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.22 25.32 74.63 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.196 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.62 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -90.29 98.74 11.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.901 0.382 . . . . 0.0 110.408 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -74.91 -25.7 59.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.319 -176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.53 -49.63 74.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 m -67.12 -33.3 75.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.023 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 90.2 mt -61.95 -48.4 80.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.18 -48.07 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.751 0.31 . . . . 0.0 111.828 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.07 -43.99 73.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.89 -35.59 78.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.407 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 21' ' ' ARG . 51.1 tp -61.61 -45.15 95.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 110.621 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.09 -38.74 86.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.5 -36.21 76.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.134 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.12 -44.53 95.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.196 0.522 . . . . 0.0 109.942 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 5.2 tm-20 -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.191 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tp60 -69.86 -38.55 76.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.133 0.492 . . . . 0.0 110.598 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.43 -32.24 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.216 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 tt -68.64 -39.51 80.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.9 mm-40 -63.0 -30.13 71.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.274 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 99.3 mttt -71.92 -44.21 64.04 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 110.471 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.72 -44.98 85.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.412 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -59.26 -38.15 79.35 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.251 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.44 -46.3 90.54 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.347 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.9 mt -67.43 -38.29 84.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.787 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.008 0.432 . . . . 0.0 111.304 -179.009 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -47.75 -45.38 29.0 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.515 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -67.24 -44.57 79.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.703 0.287 . . . . 0.0 111.361 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 98.7 mt-30 -64.35 -30.21 71.26 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -83.25 -17.94 40.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.88 -41.35 12.66 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.22 -40.49 81.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.493 -0.354 . . . . 0.0 110.739 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 11.5 mm-40 -63.4 -46.94 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.349 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.26 -42.61 98.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.054 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.97 -46.48 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.578 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -58.01 -45.34 87.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.589 178.625 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.28 -36.22 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.527 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 83.4 t80 -64.49 -39.03 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.093 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.243 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 34.6 mmt180 -64.31 -34.14 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.831 177.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 35.8 tp -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.015 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 4.8 mmm180 -66.0 -44.97 83.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.04 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.09 -53.54 56.54 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 28' ' ' ASP . 90.4 mt -61.34 -37.36 77.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.395 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -70.26 -48.33 57.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.892 0.377 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -62.06 -24.96 67.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.183 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -91.36 4.48 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.389 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.26 28.61 61.89 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 114.648 0.619 . . . . 0.0 114.648 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 23' ' ' ILE . 16.6 t0 -87.43 82.23 7.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.602 0.701 . . . . 0.0 110.185 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.84 -34.29 65.28 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.57 -48.39 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.69 0.281 . . . . 0.0 111.597 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -74.03 -31.32 62.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.037 0.446 . . . . 0.0 110.23 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.6 tp -60.63 -42.49 97.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.049 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.99 -40.97 86.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.071 0.462 . . . . 0.0 110.472 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.63 -45.07 95.42 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.116 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.2 t -68.03 -36.9 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.577 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.4 mt -60.03 -40.61 89.94 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 110.633 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -66.58 -38.52 87.24 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.443 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.0 tt0 -67.33 -39.32 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.185 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.8 mm -59.17 -47.41 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 44.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.343 178.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.45 -36.53 73.99 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 90.8 mt -68.09 -36.36 79.66 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.221 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -60.7 -42.49 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.652 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 94.1 mt-30 -62.99 -47.6 82.46 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -64.01 -35.21 79.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 111.753 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.73 -44.21 34.22 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.413 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -70.54 -39.95 73.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 73.9 mm-40 -59.87 -32.39 70.67 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.6 -30.29 71.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.347 0.594 . . . . 0.0 110.133 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -78.93 -33.98 44.96 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.33 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 N--CA 1.467 0.425 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -176.351 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 C--O 1.239 0.524 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.61 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.83 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.46 -45.23 94.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.77 -30.14 70.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.423 . . . . 0.0 110.456 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.48 -48.4 68.87 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.0 -39.93 95.23 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -38.84 90.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.005 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -64.34 -39.25 93.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.028 0.442 . . . . 0.0 110.103 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' GLY . 86.9 t -67.88 -38.95 80.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.091 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.23 -43.8 90.29 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.638 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -39.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.537 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.9 -42.09 98.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.32 -38.31 86.39 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.142 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -70.22 -41.25 73.84 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -61.46 -49.04 78.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.93 95.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.506 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.62 -34.52 78.02 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.086 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 -32.51 74.15 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.615 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -71.71 -36.41 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -67.32 -36.8 82.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.563 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.25 -5.86 59.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.342 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.69 27.53 73.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.879 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -91.25 96.83 10.77 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 109.988 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.37 -29.77 62.85 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.375 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.33 -50.08 74.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.26 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.6 p -68.86 -30.4 68.91 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.3 mt -59.77 -48.83 80.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -176.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -45.91 89.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -67.23 -45.95 75.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.785 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.17 -36.82 77.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.712 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.31 -45.01 95.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.454 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 51.0 mm-40 -62.27 -40.53 96.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 110.059 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.87 -38.41 91.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.36 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.78 -46.17 91.54 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.8 -43.43 98.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.587 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 75.5 mm-40 -68.11 -40.59 82.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -177.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.07 -39.69 75.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.233 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.7 -46.64 88.81 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.12 0.486 . . . . 0.0 110.04 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.82 -33.49 74.23 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.483 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.5 mmtt -71.94 -41.4 67.86 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 97' ' ' ALA . 88.5 mt -60.53 -45.16 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.647 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 102' ' ' ARG . 19.4 ttt180 -65.17 -30.99 71.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -73.32 -30.23 63.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.08 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 84.8 mt -74.37 -25.86 59.76 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.25 0.547 . . . . 0.0 109.619 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.979 175.48 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 111.378 0.14 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.65 -42.53 67.95 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 120.201 -0.599 . . . . 0.0 112.078 176.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -62.66 -46.31 88.8 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.991 0.424 . . . . 0.0 110.58 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 55.5 tp60 -61.14 -47.68 85.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.578 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -65.41 -26.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.859 0.361 . . . . 0.0 111.386 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -73.28 -52.23 8.99 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.26 -39.74 83.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.55 0.214 . . . . 0.0 111.353 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.5 mt-10 -62.14 -42.21 99.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 110.082 176.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.596 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' GLY . 73.3 t -60.55 -46.33 95.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 110.185 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.667 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 72.9 mm-40 -57.82 -46.8 84.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.211 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.73 81.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.755 0.312 . . . . 0.0 111.04 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.29 -40.05 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 0.0 109.882 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.88 -41.87 98.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.732 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 16.5 mmt180 -66.63 -34.84 78.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.205 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.39 -39.4 93.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.977 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HD2' HD21 ' A' ' 91' ' ' LEU . 5.4 tpt180 -63.99 -43.26 96.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.355 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 36.2 mt-10 -60.94 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.126 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 19' ' ' ARG . 50.9 mm -56.91 -36.3 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -68.0 -47.54 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.774 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.77 -25.31 66.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 64.7 mttm -91.42 0.42 57.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.22 28.94 55.5 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 116.329 -0.396 . . . . 0.0 113.955 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -90.47 87.24 6.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 117.392 0.596 . . . . 0.0 110.885 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.39 -31.75 62.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.399 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.29 -49.5 60.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.975 0.417 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -75.09 -32.66 61.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.054 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 27.1 tp -60.5 -42.07 95.59 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.822 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.3 -40.19 81.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.736 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.86 -44.71 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.2 -35.16 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.294 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 9.6 tp -61.57 -36.91 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.898 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.4 -40.24 81.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 6.3 tp10 -63.18 -42.71 99.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.527 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.54 ' O ' HG12 ' A' ' 43' ' ' ILE . 63.5 mt -65.44 -46.96 88.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.645 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.12 -42.38 80.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.694 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.61 -34.31 75.54 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.055 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 79.4 mt -65.26 -34.29 78.01 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 39' ' ' ILE . 46.5 mm -60.48 -46.62 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.779 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -62.97 -43.02 99.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.51 -36.01 82.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.338 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.07 -43.4 29.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 109.637 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -60.33 -43.82 96.06 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.016 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -58.2 -43.53 87.65 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.4 mt -63.48 -28.51 70.01 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.846 0.355 . . . . 0.0 111.67 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -78.56 -36.78 44.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 . . . . . 0 N--CA 1.47 0.561 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -175.737 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.38 96.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.43 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.6 94.44 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 27.7 mtpp -62.0 -44.11 97.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.22 -30.69 71.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.199 0.523 . . . . 0.0 109.812 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.53 -47.78 83.97 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.775 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -62.96 -39.15 93.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.773 0.32 . . . . 0.0 110.73 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 97.5 mt-30 -61.85 -43.61 98.5 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.629 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -65.04 -38.1 89.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.162 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.1 -42.48 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 64.6 tt0 -66.02 -43.64 87.02 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.116 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.424 HD13 ' HG3' ' A' ' 93' ' ' GLU . 57.9 mt -62.85 -41.28 99.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.555 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.14 -38.47 88.21 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 5.5 tp-100 -62.35 -44.11 97.24 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.626 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 29.5 mmm180 -63.86 -39.01 93.21 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.223 0.535 . . . . 0.0 109.988 176.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.27 -47.42 86.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.37 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -60.28 -44.15 95.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.677 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 39.1 mt-10 -62.29 -34.12 75.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.008 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.79 92.74 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.067 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.4 -35.63 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.934 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.01 -37.23 84.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.066 0.46 . . . . 0.0 109.807 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.72 -0.64 57.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.899 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.58 16.7 65.83 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.354 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -89.95 75.98 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.405 0.621 . . . . 0.0 111.733 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 87' ' ' LEU . 99.9 mttt -57.34 -22.93 45.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.709 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.09 -44.43 96.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.033 0.444 . . . . 0.0 110.01 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 m -69.92 -31.59 69.44 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.29 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 84' ' ' LYS . 73.9 mt -60.29 -42.39 95.36 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.955 -177.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.65 -47.44 84.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -70.23 -45.89 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.469 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 98.8 mt -65.92 -34.67 78.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.311 -178.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.484 HD21 ' HD2' ' A' ' 21' ' ' ARG . 26.6 tp -69.67 -38.74 77.17 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 32.8 tt0 -62.12 -44.45 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' HG3' HD13 ' A' ' 71' ' ' LEU . 14.1 tp10 -63.61 -38.99 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.901 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 72.8 mt -63.96 -44.46 92.73 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 51.4 mt-10 -60.64 -45.32 94.53 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.992 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 47.5 mt-30 -67.92 -38.54 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.0 111.123 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.32 -40.94 77.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.089 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.0 -42.5 98.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.18 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.3 mm-40 -61.77 -37.8 85.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.269 178.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.91 -44.82 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 97' ' ' ALA . 89.4 mt -61.36 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.345 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.436 ' HD2' HG21 ' A' ' 14' ' ' VAL . 3.2 mtp180 -58.68 -42.49 88.62 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.429 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -42.6 93.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.875 0.369 . . . . 0.0 111.025 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.68 -34.82 67.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.367 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.904 0.383 . . . . 0.0 111.237 -179.243 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt . . . . . 0 C--O 1.232 0.139 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.74 -54.08 32.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.834 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -64.57 -39.07 93.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.45 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -59.97 -45.78 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.91 -23.97 66.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.993 0.425 . . . . 0.0 111.245 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.43 -53.08 9.11 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.42 -33.85 71.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.92 -46.38 89.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.463 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.96 -41.11 95.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.587 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.3 t -63.35 -47.42 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.38 -44.96 84.89 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.5 81.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.559 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 71.7 t80 -69.4 -39.66 77.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.181 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.8 mt-30 -65.24 -34.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.355 0.598 . . . . 0.0 109.415 178.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -69.4 -35.7 76.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.295 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HB2' HD11 ' A' ' 39' ' ' ILE . 44.3 tp -61.67 -36.08 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.452 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HD2' HD21 ' A' ' 91' ' ' LEU . 6.9 tpt180 -60.81 -47.19 87.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.232 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.03 -52.11 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.931 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 ' OG ' ' A' ' 31' ' ' SER . 49.1 mm -56.12 -39.03 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.17 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -69.63 -48.0 61.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.781 0.324 . . . . 0.0 110.65 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.15 -21.3 64.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.488 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -80.68 -4.94 56.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.486 0.184 . . . . 0.0 111.134 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.69 26.04 52.52 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.569 -0.348 . . . . 0.0 113.764 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 9.3 t0 -93.58 86.24 5.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.432 0.616 . . . . 0.0 110.607 -178.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' HA ' HD12 ' A' ' 32' ' ' LEU . 36.2 m-20 -58.43 -29.75 66.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.221 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -71.0 -42.53 69.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.903 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 28' ' ' ASP . 94.0 p -73.25 -30.67 63.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.583 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 29' ' ' ASP . 20.8 mt -61.47 -40.64 95.26 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.772 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 12.3 tp10 -59.93 -41.53 92.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.655 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -70.41 -40.92 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.167 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.4 -37.87 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.423 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 49.8 mt -61.97 -34.81 76.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.173 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 51.9 mt-10 -66.99 -38.54 86.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.236 0.541 . . . . 0.0 109.731 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 17.0 tp10 -65.04 -44.71 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.576 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 20' ' ' LEU . 71.0 mt -65.83 -48.28 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.327 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.26 -37.9 75.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.93 -35.43 76.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.874 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 85.5 mt -67.66 -36.04 79.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.734 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.4 mt -61.25 -43.97 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.87 -44.49 76.96 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.247 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.94 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 0.0 111.187 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -74.88 -44.13 50.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -71.41 -30.19 65.79 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.48 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.45 -37.74 76.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.23 0.538 . . . . 0.0 110.188 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.38 -37.47 71.59 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.968 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -69.65 -30.07 67.68 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 110.041 179.424 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 121.075 0.464 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.45 99.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.59 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.48 -44.23 94.98 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -63.51 -38.48 91.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.216 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.08 -41.97 99.64 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.888 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 3.5 m-20 -62.14 -41.0 97.83 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.293 0.547 . . . . 0.0 110.938 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.169 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.79 -38.77 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.124 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -66.27 -41.33 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.032 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 13.1 mm100 -66.44 -41.72 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.211 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.67 -39.37 94.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.52 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.417 ' N ' HD21 ' A' ' 94' ' ' LEU . 72.4 t80 -66.92 -38.6 86.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.524 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 97.7 mt-30 -64.32 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.8 mtt180 -63.66 -37.42 87.26 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -45.41 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.498 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -63.68 -41.88 98.1 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.53 -38.19 89.02 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.413 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.03 83.97 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.31 -44.45 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.76 0.314 . . . . 0.0 111.141 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.91 -36.8 83.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -86.61 -1.74 57.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.809 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 25.54 73.3 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.917 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.9 t70 -92.72 95.56 9.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.098 0.475 . . . . 0.0 109.773 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' A' ' 87' ' ' LEU . 36.8 mtmm -74.75 -32.49 62.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.898 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.22 -41.22 92.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.935 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.8 m -72.33 -30.33 64.65 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.1 mt -59.68 -47.77 84.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.87 -46.73 84.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 38.8 tt0 -68.67 -47.56 66.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.738 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.31 -36.56 84.1 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.583 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.495 HD21 ' HD2' ' A' ' 21' ' ' ARG . 42.7 tp -67.79 -41.49 83.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.974 0.416 . . . . 0.0 109.95 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.43 -40.06 85.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.482 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' GLN . 42.9 mt-10 -67.04 -37.08 83.46 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.873 0.368 . . . . 0.0 110.102 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 72' ' ' PHE . 29.9 mt -63.8 -45.82 87.93 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.801 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.85 -43.78 98.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.474 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 tp60 -69.06 -37.33 78.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.83 83.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 109.666 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.15 -44.07 97.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.638 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.0 -31.1 71.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.444 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 96.9 mttt -72.2 -42.97 65.2 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.56 -47.56 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -60.91 -38.49 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.782 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.17 -46.37 90.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.85 -36.93 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.774 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.64 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.507 0.194 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -49.92 -52.47 33.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.55 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.97 -44.66 95.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.357 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.36 -46.29 90.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.898 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -65.75 -23.43 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.11 -48.69 18.94 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.9 m-20 -58.78 -43.44 90.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.587 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.25 -44.41 97.29 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.8 tp -61.16 -41.49 96.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.703 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 71.7 t -63.22 -42.93 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.721 0.296 . . . . 0.0 110.257 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -58.05 -42.74 86.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.05 -35.96 77.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.587 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 74.0 t80 -63.91 -38.25 90.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.736 177.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 97.1 mt-30 -63.4 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.59 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 90.5 mtt180 -62.88 -36.41 83.2 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 57.9 tp -59.61 -40.42 87.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.47 -177.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.3 mmm180 -66.27 -48.96 68.76 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.195 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.15 -31.26 72.0 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.401 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.728 HG23 ' HB3' ' A' ' 28' ' ' ASP . 93.0 mt -79.62 -40.48 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.592 0.71 . . . . 0.0 109.918 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.75 -47.9 50.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.622 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -62.36 -27.54 69.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.479 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.03 2.38 55.27 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.9 29.5 74.36 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.507 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.728 ' HB3' HG23 ' A' ' 23' ' ' ILE . 14.9 t0 -80.27 102.23 9.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.241 0.543 . . . . 0.0 110.408 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -73.9 -43.34 58.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.372 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.25 -47.97 77.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.92 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 t -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.931 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.1 tp -60.25 -48.22 82.68 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.575 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.94 -46.06 88.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.704 0.288 . . . . 0.0 111.211 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -62.0 -45.83 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 23' ' ' ILE . 58.6 t -67.92 -33.81 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.002 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.3 mt -60.05 -35.79 75.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.62 -38.15 86.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.212 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.2 mt-10 -69.09 -42.1 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.358 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 43' ' ' ILE . 79.6 mt -61.45 -49.02 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.172 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -59.29 -37.61 78.12 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 178.139 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.92 -38.97 92.75 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 94.8 mt -69.21 -35.78 76.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.7 mt -62.7 -41.67 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 78.4 mt-30 -62.35 -45.27 93.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.342 176.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -61.24 -37.4 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.73 -40.64 47.9 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' NE ' HG22 ' A' ' 43' ' ' ILE . 75.9 mtm180 -66.42 -44.14 83.74 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.933 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -58.42 -40.69 83.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.584 -174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.75 -37.62 82.37 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.092 0.472 . . . . 0.0 110.282 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -73.76 -29.5 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.251 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.591 178.489 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 8.3 tp10 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.641 0.258 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.22 91.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.295 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.405 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.11 -45.08 93.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.196 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 84.5 mm-40 -65.15 -33.1 75.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.91 -49.18 60.3 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.465 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 9.5 m-20 -62.17 -38.93 90.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 176.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -62.21 -42.06 98.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.337 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -62.26 -39.65 93.61 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.946 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 65' ' ' GLY . 87.4 t -66.71 -41.76 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.387 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 85.1 mm-40 -67.6 -38.56 84.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -40.15 94.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.452 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.8 -40.62 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.189 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.35 -41.1 98.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.28 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.36 -41.41 93.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.953 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.48 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.473 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -41.59 92.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.87 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.36 -33.04 70.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.96 74.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.373 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.89 -35.32 71.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -67.82 -32.05 72.33 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.022 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.22 -5.01 59.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.01 22.35 75.83 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.29 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -91.12 98.29 11.67 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.05 0.452 . . . . 0.0 110.799 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -73.47 -28.92 62.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.566 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.79 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.668 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.4 m -67.07 -31.09 71.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.616 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 75.3 mt -60.18 -48.19 82.75 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.34 -45.9 91.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -68.22 -45.91 71.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.974 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.8 mt -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.102 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.3 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.93 -39.93 90.94 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.014 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.0 -35.67 81.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.872 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.6 -40.82 93.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.9 tm-20 -64.12 -43.44 95.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -68.46 -39.62 81.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 111.244 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.77 -42.75 73.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.043 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 10.1 tt -61.37 -41.62 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.253 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 79.2 mm-40 -60.84 -37.83 83.4 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.316 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 mtmm -69.53 -42.12 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.754 0.311 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.86 -47.6 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.423 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -62.22 -40.55 96.49 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.83 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt-10 -60.74 -36.2 78.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.017 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 97.7 mt -69.47 -39.54 77.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 110.56 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 0.0 110.983 -179.462 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.4 tptt . . . . . 0 C--O 1.238 0.452 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 tp -49.96 -53.49 25.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.423 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 54.5 tt0 -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.203 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.3 p -65.01 -21.46 66.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 111.393 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.75 -47.34 15.07 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 3.6 m-20 -54.91 -45.37 74.75 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.87 175.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.3 mm-40 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.267 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.71 -43.88 97.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.892 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 68.7 t -61.6 -45.51 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.542 177.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 56.8 mt-30 -56.58 -45.62 81.26 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.812 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD2' HD13 ' A' ' 98' ' ' LEU . 83.9 t80 -67.5 -40.14 85.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.779 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.2 mt-30 -62.17 -43.1 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.29 0.567 . . . . 0.0 109.621 177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -64.3 -35.97 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.288 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.81 -39.97 93.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -62.89 -48.4 79.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 mm-40 -62.78 -52.28 63.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.879 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 28' ' ' ASP . 93.2 mt -55.75 -36.32 42.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.838 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -69.18 -48.69 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -63.59 -31.39 72.54 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.79 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 57.3 mttm -87.53 3.6 46.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.77 29.45 73.99 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.032 -0.604 . . . . 0.0 114.164 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.638 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.8 t70 -81.44 103.0 10.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.8 m-20 -70.25 -43.32 70.79 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.948 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -68.8 -47.81 65.17 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -70.18 -33.09 71.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.243 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.8 tp -59.67 -47.25 86.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.216 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 50.9 mt-10 -61.05 -46.49 90.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.052 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.98 -45.58 94.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.613 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 39' ' ' ILE . 59.6 t -63.58 -33.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.407 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.87 -38.87 83.41 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 mp0 -68.63 -37.85 80.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.74 -43.31 84.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 67.7 mt -61.57 -46.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.174 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.51 -34.38 69.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.171 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 59.3 mm-40 -69.16 -40.83 77.93 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.985 0.421 . . . . 0.0 110.684 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.62 -36.83 76.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.181 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.3 mt -61.53 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.367 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.33 -45.43 91.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.102 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.24 -33.9 75.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.85 -43.95 43.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 109.73 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 47' ' ' ARG . 21.7 ttt180 -67.67 -33.21 74.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.626 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.89 -31.75 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.874 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.12 -27.95 61.11 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.418 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -76.83 -26.76 54.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.859 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 N--CA 1.469 0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 111.391 -179.18 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.917 0.389 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.04 -44.49 97.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.352 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.0 86.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.34 -45.5 92.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.841 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.87 -29.6 65.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.853 0.358 . . . . 0.0 110.393 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.83 -48.4 76.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.71 -36.54 84.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.0 110.946 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.13 -43.63 98.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.06 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -64.76 -38.18 90.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.126 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 65' ' ' GLY . 90.7 t -64.64 -45.55 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.5 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.8 -38.95 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.593 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.414 HD13 ' HG3' ' A' ' 93' ' ' GLU . 85.2 mt -65.01 -42.57 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 177.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.08 -41.95 85.47 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.282 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.32 -44.45 95.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.3 -40.24 89.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.451 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.54 -48.62 78.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.422 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.31 -40.02 96.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.238 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.89 -34.71 79.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.37 0.605 . . . . 0.0 109.746 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.34 69.84 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.5 -35.71 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -68.47 -33.96 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.996 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -82.76 -8.25 59.6 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.775 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.46 25.4 74.85 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.209 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.681 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -92.57 98.5 11.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.981 0.42 . . . . 0.0 110.709 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -73.49 -30.88 63.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.441 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.69 -48.56 80.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.698 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 p -71.28 -31.12 67.09 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.608 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.8 mt -60.41 -48.97 79.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 50.2 mt-10 -60.92 -45.94 92.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.806 0.336 . . . . 0.0 111.335 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -66.51 -43.59 84.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.32 -34.82 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.266 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.9 tp -66.65 -41.82 87.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 47.0 mm-40 -62.26 -40.24 95.54 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 109.957 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' HD13 ' A' ' 71' ' ' LEU . 13.2 tp10 -68.24 -37.04 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.095 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.3 -45.3 93.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.43 -41.37 97.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.002 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.663 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 32.1 tt0 -69.71 -42.4 74.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.459 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.64 84.61 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.642 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 17' ' ' PHE . 2.9 tt -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -66.91 -29.07 68.85 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.456 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 78.9 mttt -70.33 -44.76 67.54 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.64 -45.63 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.958 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -58.17 -39.94 80.15 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 45.9 mt-10 -60.98 -46.05 92.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.619 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.22 -38.03 75.15 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.86 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.633 0.254 . . . . 0.0 111.546 -178.537 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.0 mttt . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 121.357 0.599 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.68 -51.86 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 7' ' ' ARG . 9.3 tpt180 -63.25 -43.18 98.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.95 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 23.1 tm0? -60.6 -44.87 95.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.019 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -70.8 -22.87 62.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -72.11 -49.66 20.67 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.05 -40.16 80.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.572 -0.314 . . . . 0.0 111.692 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.4 mm-40 -64.15 -42.52 96.72 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.799 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.87 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.036 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.7 t -60.98 -42.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.075 178.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.84 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.23 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.39 83.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.979 0.419 . . . . 0.0 110.36 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -67.48 -38.68 84.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.007 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.51 -38.15 80.66 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.924 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' HG13 ' A' ' 23' ' ' ILE . 8.0 tpm_? -69.57 -35.2 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.71 -42.56 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.871 -1.058 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -67.88 -35.62 78.82 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.65 -37.06 79.37 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.488 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' ARG . 77.8 mt -76.04 -36.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.624 0.726 . . . . 0.0 109.696 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.24 -46.32 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.155 -176.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -61.66 -22.84 65.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.451 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -92.01 3.56 54.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.97 28.39 73.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.223 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.7 t70 -86.53 102.22 13.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.293 0.568 . . . . 0.0 110.531 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.05 -42.55 47.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.304 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.77 -47.42 83.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.989 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 t -73.17 -31.33 64.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 49.9 tp -59.35 -48.25 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.29 -47.17 84.48 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.969 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.84 -46.32 91.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.614 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.01 -34.17 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.927 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.7 mt -59.23 -43.81 92.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.136 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -67.46 -34.87 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 mt-10 -69.92 -43.13 72.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 43' ' ' ILE . 62.7 mt -59.78 -47.91 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.951 177.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 45.9 mt-10 -58.51 -37.23 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.94 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 30.4 tt0 -68.94 -35.99 77.43 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.9 mt -69.21 -36.5 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.155 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.6 mt -60.6 -40.83 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.481 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 69.8 mt-30 -63.7 -44.13 94.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.341 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 65.3 mttm -61.61 -37.51 84.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.773 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -77.25 -44.47 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -67.55 -35.26 78.71 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.623 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -58.66 -34.88 71.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.61 -30.97 70.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.197 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -77.09 -31.48 55.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.064 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 CA--C 1.515 -0.372 0 CA-C-O 121.273 0.559 . . . . 0.0 110.058 178.548 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 121.011 0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.43 97.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.35 92.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.1 tptm -63.87 -43.91 94.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.02 -38.62 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.105 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -42.17 99.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.064 178.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.34 -44.42 97.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 110.485 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.8 mm-40 -65.49 -36.07 82.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -62.45 -38.94 91.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -66.41 -38.06 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.754 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.8 mt-30 -69.27 -39.44 78.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.95 -39.94 93.82 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.54 -37.7 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.698 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 28.5 mt-30 -62.59 -38.94 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.8 mmt180 -66.17 -37.69 86.25 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.7 -46.62 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.338 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -61.22 -41.21 96.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.147 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 49.3 mt-10 -65.84 -36.5 83.65 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.914 0.388 . . . . 0.0 110.156 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.62 89.39 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.74 -42.53 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.871 0.367 . . . . 0.0 110.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -68.19 -30.67 69.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.03 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -90.63 0.45 57.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.81 19.65 75.28 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.152 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.505 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -88.46 95.03 10.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.026 0.441 . . . . 0.0 110.002 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 87' ' ' LEU . 16.6 ptpt -76.52 -28.79 56.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.961 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 -49.51 76.95 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.0 m -63.37 -30.86 71.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 84' ' ' LYS . 93.9 mt -60.11 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.331 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 36.6 mt-10 -62.86 -41.62 99.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.929 0.395 . . . . 0.0 111.182 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -66.76 -45.29 79.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.38 -34.4 75.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.43 -43.9 96.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 110.755 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 27.9 mm-40 -68.35 -35.92 78.46 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.195 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.62 -44.2 91.3 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 109.774 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.35 -41.47 97.11 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.42 -46.12 91.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.329 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.68 -42.89 85.82 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.89 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.551 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.32 -45.55 76.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.04 -45.86 91.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -62.02 -41.19 97.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.598 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.0 -36.95 80.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.457 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 97' ' ' ALA . 99.6 mt -61.61 -45.27 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -58.04 -44.49 87.4 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.365 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.93 -41.86 97.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.341 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.06 -38.47 66.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 111.777 -179.755 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.239 0.544 0 CA-C-O 121.273 0.558 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.98 -53.4 13.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 66.6 ttt-85 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.335 177.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.516 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 p -64.44 -23.07 67.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.184 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -76.63 -48.65 8.73 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 49.1 m-20 -59.01 -44.98 91.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 122.284 0.233 . . . . 0.0 110.898 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.25 -40.1 95.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.886 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.91 -38.88 83.56 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 102' ' ' ARG . 64.8 t -66.83 -41.44 87.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -60.95 -38.53 86.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.43 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.23 -38.67 85.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.997 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.73 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -64.98 -39.59 93.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.915 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.94 -38.55 82.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -47.63 84.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 47.0 mt-10 -66.54 -52.86 41.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.464 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.42 -34.12 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.84 -44.04 94.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.79 -21.33 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.533 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.2 mttt -90.58 -13.12 35.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.218 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.63 28.81 73.75 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.133 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.27 80.75 3.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.126 0.488 . . . . 0.0 110.664 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 -29.73 45.81 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.459 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -63.42 -50.24 70.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.044 0.449 . . . . 0.0 110.835 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -75.57 -32.83 60.53 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.075 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 1.9 tt -58.99 -48.01 83.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.818 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.73 -40.44 92.38 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 110.879 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.43 -45.12 88.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.027 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -33.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.001 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 92.5 mt -59.84 -34.57 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.244 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -64.83 -39.14 93.09 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.07 -45.7 87.61 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.396 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 43' ' ' ILE . 78.2 mt -64.87 -49.28 80.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.581 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 10.5 tp10 -56.95 -45.23 82.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.5 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 21.2 mm-40 -64.49 -43.84 92.9 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.8 -35.95 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.474 0.175 . . . . 0.0 111.474 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.4 mt -61.47 -46.67 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 79.8 mm-40 -62.04 -45.32 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.602 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 67.2 mttm -67.16 -34.11 76.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -77.16 -44.85 28.77 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 59.4 ttt180 -68.27 -30.31 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.396 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -56.3 -41.34 75.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.932 0.396 . . . . 0.0 110.378 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.33 -28.9 64.41 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -74.37 -40.7 61.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.183 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 2.3 m-20 . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.08 0.466 . . . . 0.0 110.828 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 120.503 0.192 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.43 89.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.436 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.791 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.19 -45.64 93.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.407 HE22 HD11 ' A' ' 104' ' ' LEU . 43.2 mt-30 -68.26 -29.99 68.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.86 -48.62 69.77 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.46 -40.97 88.59 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.026 0.441 . . . . 0.0 110.213 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.3 -42.53 99.44 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.579 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.06 -39.78 87.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.935 0.398 . . . . 0.0 109.997 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 89.6 t -67.23 -40.36 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.779 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -62.01 -45.17 94.77 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.712 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.61 -38.48 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.239 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.36 -43.69 96.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.517 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.8 mt-30 -62.3 -42.19 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -64.49 -38.79 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.188 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.4 t80 -60.67 -45.79 92.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.713 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -58.11 -42.2 85.19 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -66.37 -33.93 76.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.93 67.95 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.264 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.9 mt -72.86 -45.48 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.536 0.684 . . . . 0.0 109.281 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -70.19 -33.49 71.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.743 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -94.71 2.54 55.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.41 73.21 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.975 -0.631 . . . . 0.0 114.193 174.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.3 t70 -88.02 96.06 10.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 117.518 0.659 . . . . 0.0 109.304 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -64.53 -41.06 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.591 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.952 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -64.13 -33.39 75.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.3 mt -61.41 -49.65 75.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.117 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 30.0 mt-10 -59.35 -49.24 78.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.954 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.45 -44.86 70.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.5 mt -64.7 -34.33 78.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.057 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 43.4 tp -68.46 -42.28 78.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.229 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 88' ' ' GLU . 31.5 mt-10 -66.13 -36.67 83.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.98 0.419 . . . . 0.0 110.149 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.17 -38.34 90.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.458 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.3 mt -61.94 -40.6 96.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.938 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.5 mt-10 -61.78 -44.67 96.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 78.9 mm-40 -69.0 -44.53 72.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.238 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.1 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.471 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.91 -46.2 90.4 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.356 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -65.03 -32.4 74.1 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.595 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 8.7 mtpm? -71.54 -41.53 69.04 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.738 0.304 . . . . 0.0 111.076 -178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.61 -44.86 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.229 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.566 ' HD2' HG21 ' A' ' 14' ' ' VAL . 67.7 mtp85 -66.36 -35.2 79.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.5 -42.87 99.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.104 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.407 HD11 HE22 ' A' ' 64' ' ' GLN . 98.9 mt -66.83 -40.71 88.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.436 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.486 -179.054 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 mttm . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.7 tp -49.94 -52.94 29.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.468 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -64.73 -44.57 89.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.715 0.293 . . . . 0.0 111.419 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.681 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -66.44 -20.49 66.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.058 0.456 . . . . 0.0 111.071 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -75.13 -49.08 9.97 Favored Glycine 0 N--CA 1.438 -1.18 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 m-20 -57.82 -41.49 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.592 176.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' HD13 ' A' ' 42' ' ' LEU . 39.4 tt0 -61.76 -44.56 96.66 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.09 -39.64 90.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.2 t -60.88 -45.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.939 0.4 . . . . 0.0 110.095 176.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 86.2 mm-40 -57.43 -45.43 84.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.496 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.81 85.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.042 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.115 0.484 . . . . 0.0 109.764 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -63.67 -37.95 89.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.993 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.11 -35.29 79.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.757 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.49 -39.19 92.67 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.795 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -63.59 -46.4 86.01 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.921 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.7 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 29.6 tt0 -61.19 -51.83 67.38 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 -178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 HD11 HG21 ' A' ' 35' ' ' VAL . 74.6 mt -56.75 -36.52 49.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.821 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -68.14 -47.74 67.24 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.4 -33.45 75.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.942 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.7 ' HD3' ' O ' ' A' ' 22' ' ' GLU . 3.9 mptp? -88.69 -5.18 58.29 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.01 29.88 62.84 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.457 0.543 . . . . 0.0 114.457 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.73 84.58 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.812 0.806 . . . . 0.0 110.759 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.68 -30.39 63.37 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.063 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.69 -47.8 61.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.987 0.422 . . . . 0.0 110.624 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.6 p -65.99 -32.03 73.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.729 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 HD13 ' A' ' 79' ' ' ILE . 41.0 tp -62.12 -43.4 98.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.948 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -58.26 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.741 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.84 -46.07 66.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.311 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.415 HG21 HD11 ' A' ' 23' ' ' ILE . 53.9 t -69.1 -34.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.42 -34.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.384 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 39.3 mt-10 -68.76 -39.33 80.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.776 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 42.4 mm-40 -64.38 -45.45 87.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.985 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 43' ' ' ILE . 82.7 mt -60.46 -48.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.97 -38.99 77.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.395 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 42.8 mm-40 -71.38 -34.97 70.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.844 0.354 . . . . 0.0 110.553 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 59.3 mt -66.31 -37.17 84.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.2 mt -61.13 -42.58 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.43 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.671 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 78.7 mt-30 -63.34 -46.79 84.98 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.984 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 48.0 mtmt -61.57 -34.5 75.7 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.119 0.485 . . . . 0.0 111.235 -177.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.38 -43.66 39.68 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.658 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -65.77 -33.2 75.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.877 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.671 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.4 mt-30 -58.38 -32.79 68.92 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.052 0.453 . . . . 0.0 110.6 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.29 -33.8 67.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.302 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -76.92 -30.93 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.983 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.634 179.317 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 . . . . . 0 C--O 1.225 -0.199 0 CA-C-O 120.907 0.384 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.4 94.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.92 -38.4 69.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 110.2 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -64.29 -44.52 91.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.382 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -68.11 -40.77 82.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.292 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.67 -38.77 96.44 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.58 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.4 m-20 -62.92 -40.94 99.14 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 117.123 0.461 . . . . 0.0 110.727 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.24 -42.48 96.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.106 0.479 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.56 -38.09 80.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.194 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -66.63 -39.93 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.129 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 9.4 mm100 -61.47 -45.71 93.11 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.046 0.45 . . . . 0.0 109.981 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.66 -37.38 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.07 -43.19 99.26 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.192 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 96.6 mt-30 -60.9 -44.15 97.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.344 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 90.4 mtt180 -63.29 -38.68 92.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.88 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.0 t80 -59.97 -47.12 87.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.829 178.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -58.25 -45.97 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.884 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 43.9 mm-40 -65.47 -33.73 76.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -177.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.11 69.44 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.452 HD13 HD21 ' A' ' 32' ' ' LEU . 92.3 mt -71.2 -37.56 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -65.25 -31.27 72.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.139 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -88.99 -6.62 57.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.583 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.2 27.79 73.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.629 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 14.6 t70 -93.15 102.13 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.845 0.323 . . . . 0.0 110.418 -177.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.2 pttp -72.76 -25.52 61.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.044 0.449 . . . . 0.0 110.599 -175.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 28.3 m-20 -66.56 -48.61 69.1 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.397 -172.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.5 p -71.05 -30.62 66.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.753 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.1 mt -60.78 -46.73 89.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.632 0.253 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 39.9 mt-10 -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.645 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -69.0 -46.29 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.673 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 96.3 mt -66.11 -39.18 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.721 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 52.1 tp -61.1 -44.9 96.65 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.567 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 40.3 mt-10 -62.72 -43.26 99.26 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.16 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.26 -34.47 77.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.241 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.4 mt -63.54 -45.3 91.19 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.0 mt-10 -60.75 -41.72 95.98 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.987 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 76.8 mt-30 -69.19 -44.52 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 111.163 -178.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.83 78.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.99 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.8 -47.48 84.93 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.009 0.433 . . . . 0.0 110.852 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 48.4 mt-30 -64.03 -30.24 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.833 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -72.39 -44.15 62.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.029 0.442 . . . . 0.0 110.208 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.57 -46.51 96.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -58.01 -41.21 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 28.9 mm-40 -68.13 -30.29 69.4 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.13 -43.82 61.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.17 0.51 . . . . 0.0 110.118 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.063 -177.665 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.2 tttp . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.6 -48.66 48.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.173 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -62.29 -46.02 90.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.717 175.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -60.77 -44.88 96.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.874 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -65.5 -23.97 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.721 0.296 . . . . 0.0 111.25 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -70.35 -52.3 17.86 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -43.44 74.25 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 120.763 0.316 . . . . 0.0 111.365 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.08 -45.02 95.35 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.803 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.53 -44.4 97.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.069 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 10' ' ' GLY . 91.1 t -61.02 -45.55 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.501 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -59.25 -38.3 79.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.21 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.96 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 0.0 110.442 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -64.25 -38.43 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.62 -43.94 97.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -65.43 -34.79 79.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.094 0.473 . . . . 0.0 109.82 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.08 -39.57 86.53 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.959 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.76 -46.61 89.8 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.438 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.11 -52.58 64.31 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.442 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.9 mt -56.71 -40.19 68.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.379 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -68.28 -49.18 62.28 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.553 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.856 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.54 3.81 53.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.712 0.291 . . . . 0.0 111.42 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.7 29.65 58.42 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.3 87.76 5.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 118.357 1.078 . . . . 0.0 112.214 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 m-20 -56.13 -32.8 64.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.65 -47.62 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -74.22 -32.2 62.92 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.194 0.521 . . . . 0.0 109.98 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 31.1 tp -61.08 -42.87 99.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.621 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 37.5 mt-10 -57.86 -46.25 85.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.008 0.432 . . . . 0.0 111.242 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.16 -38.82 92.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.666 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.423 HG21 ' CD1' ' A' ' 23' ' ' ILE . 57.7 t -69.65 -34.97 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.307 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.1 mt -60.78 -35.25 75.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.99 -41.77 90.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.2 tp10 -67.28 -42.52 83.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.159 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 69.5 mt -62.33 -47.61 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.17 -38.6 73.82 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.527 0.203 . . . . 0.0 111.302 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.36 -44.87 86.3 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.734 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.6 mt -62.3 -37.47 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.273 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.2 mt -63.92 -48.04 87.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.465 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.63 -43.0 90.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.502 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.86 -35.65 81.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.621 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -76.54 -41.7 45.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.979 0.418 . . . . 0.0 109.965 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -68.89 -33.53 73.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.102 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.44 70.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 111.099 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.88 -28.27 68.19 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -71.33 -27.36 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.385 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -177.787 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.994 0.426 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.61 95.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.801 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.95 84.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.331 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.14 -43.02 99.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.292 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.38 -30.64 70.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.67 -48.73 64.73 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.57 -38.79 88.82 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.649 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp60 -63.32 -43.57 97.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.069 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -61.38 -40.01 92.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.79 -41.03 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.951 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 9.3 tt0 -67.69 -40.36 84.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.223 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 94.2 mt -61.99 -39.62 92.81 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.53 -41.21 96.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.384 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -64.95 -38.68 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -68.65 -36.64 78.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 79' ' ' ILE . 83.8 t80 -60.98 -49.18 78.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.699 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.418 ' HG2' ' OD2' ' A' ' 80' ' ' ASP . 49.6 ttt180 -65.82 -36.19 82.78 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.613 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 2.6 mm-40 -59.84 -39.71 86.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.34 74.74 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.792 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.422 HD11 ' CE2' ' A' ' 75' ' ' PHE . 95.5 mt -57.14 -45.43 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.245 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' OD2' ' HG2' ' A' ' 76' ' ' ARG . 73.9 m-20 -63.12 -34.02 76.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 109.917 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 31.6 mmtp -88.68 5.11 44.71 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.13 12.81 66.16 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.994 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -83.48 98.91 9.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.27 0.557 . . . . 0.0 111.829 -177.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.28 -31.41 58.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.358 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.47 -49.95 75.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.641 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -66.48 -29.87 70.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.7 mt -58.13 -40.37 81.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.763 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.14 -46.12 89.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.589 0.233 . . . . 0.0 111.383 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.68 -46.2 69.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.713 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.68 -34.88 78.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.903 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.63 -38.36 80.44 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.4 -45.27 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -65.26 -39.53 92.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.364 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.43 -47.79 80.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.591 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.27 90.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.023 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 79.8 mt-30 -63.97 -42.98 97.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.048 0.451 . . . . 0.0 111.32 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.15 73.18 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.632 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.12 -46.93 88.58 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 1.7 mp0 -62.87 -38.63 91.62 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.996 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 73.1 mmtt -70.14 -41.68 73.55 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.549 -176.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.99 -45.89 97.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.21 -39.01 93.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.43 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.2 mt-10 -62.4 -45.9 91.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.627 0.251 . . . . 0.0 111.12 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.28 -42.61 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.832 0.348 . . . . 0.0 111.505 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.908 -178.567 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.64 -53.28 32.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.441 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -64.43 -43.36 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.895 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -58.93 -44.25 91.31 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -68.31 -16.56 63.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.518 . . . . 0.0 110.641 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.76 -50.35 5.3 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.63 -44.36 77.06 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.215 0.531 . . . . 0.0 109.749 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.65 -44.62 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.724 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.37 -40.19 95.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.69 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' GLY . 95.6 t -64.42 -46.9 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.981 0.42 . . . . 0.0 110.45 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 78.6 mt-30 -58.83 -42.85 90.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.026 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.13 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.981 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.71 -38.23 74.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.4 -40.12 96.35 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 21.2 mmt180 -65.16 -35.96 82.74 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.252 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.14 -36.76 78.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.484 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.432 HH21 ' CG ' ' A' ' 25' ' ' ASP . 3.1 mmm180 -65.97 -47.69 73.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 53.5 mm-40 -67.99 -29.97 69.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.256 -176.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.9 mt -76.48 -35.97 27.54 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -72.07 -43.4 64.92 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.664 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' HH21 ' A' ' 21' ' ' ARG . 20.1 m-20 -63.45 -32.69 74.21 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.292 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 47.3 mmtm -89.08 0.49 56.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.274 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.46 29.31 74.92 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 114.408 0.523 . . . . 0.0 114.408 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.71 76.89 4.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.552 0.676 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.51 -28.02 58.82 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.836 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.17 -48.79 69.57 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.434 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -74.1 -32.51 63.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 32.3 tp -60.2 -48.19 82.76 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.921 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.82 -46.1 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.72 -40.15 91.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.9 t -69.85 -34.85 62.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 mt -60.43 -42.92 97.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.206 -0.309 . . . . 0.0 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.81 -39.01 92.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.232 0.539 . . . . 0.0 109.665 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.59 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.4 tt0 -64.66 -44.07 91.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.32 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.4 mm -60.46 -48.97 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.215 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.64 -39.78 81.51 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.391 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -70.08 -35.34 74.12 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.277 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.3 mt -66.39 -36.16 82.16 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.0 mt -61.31 -43.14 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.65 -44.79 92.8 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -63.61 -35.86 81.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.992 0.425 . . . . 0.0 111.245 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.74 -44.61 32.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.287 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -68.64 -32.47 72.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -60.04 -34.78 73.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.982 0.42 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.23 -28.79 61.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.218 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -72.3 -30.3 64.66 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.468 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 . . . . . 0 CA--C 1.512 -0.497 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.805 178.835 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.937 0.399 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.73 93.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.615 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.98 95.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.926 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.59 -42.76 99.32 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.54 -31.29 72.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.683 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.24 -47.5 89.3 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.727 177.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 52.0 m-20 -58.66 -44.81 90.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.939 0.4 . . . . 0.0 110.43 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -62.2 -41.0 97.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.072 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -60.48 -39.92 89.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 65' ' ' GLY . 94.7 t -63.41 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 78.0 mm-40 -65.53 -43.15 90.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.7 -42.14 98.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.451 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -60.55 -45.14 95.0 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.651 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.5 mm-40 -61.56 -44.42 97.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.1 mtt180 -64.03 -34.76 78.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.94 0.4 . . . . 0.0 110.129 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.74 -48.09 78.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.738 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 76' ' ' ARG . 2.2 ttp180 -64.0 -40.24 95.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.382 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 50.5 mt-10 -63.19 -33.38 75.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.058 0.456 . . . . 0.0 110.161 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.44 74.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.8 mt -71.82 -36.74 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -69.19 -37.85 78.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.206 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -84.59 -7.81 59.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.352 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.8 27.82 70.08 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.842 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.48 96.89 10.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -69.86 -32.7 71.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.905 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.534 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.2 m -66.66 -30.09 70.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.47 -49.57 76.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.137 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.13 -45.22 67.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.198 0.523 . . . . 0.0 110.92 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.02 -36.67 78.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.043 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 48.8 tp -63.81 -43.38 96.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 28.5 tp10 -62.27 -45.16 94.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.507 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.59 -34.12 75.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.641 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.9 mt -60.46 -47.32 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.051 0.453 . . . . 0.0 110.093 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 43.4 mt-10 -61.06 -43.27 99.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.725 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 95.7 mt-30 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 0.0 111.249 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.51 71.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.206 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.2 -46.82 88.89 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.952 0.406 . . . . 0.0 110.795 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 96.6 mt-30 -62.44 -30.5 71.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -73.81 -44.37 56.05 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.44 -46.64 94.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.048 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HD2' HG21 ' A' ' 14' ' ' VAL . 46.7 ttt180 -66.2 -31.93 73.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 0.0 109.537 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 33.0 tt0 -67.98 -46.56 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.06 -42.26 60.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.036 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HB3' HD13 ' A' ' 49' ' ' LEU . 97.1 mttt . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.221 0.534 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.51 -48.72 38.25 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -67.25 -36.95 82.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.526 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.1 -30.85 71.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.504 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -88.27 -18.21 29.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.254 0.55 . . . . 0.0 110.188 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.96 -48.39 6.12 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.84 -37.07 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.715 0.293 . . . . 0.0 110.743 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.78 -45.28 93.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.1 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.53 -39.77 92.27 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.625 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 93.6 t -64.35 -47.19 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.4 -45.26 88.7 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.935 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.5 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.255 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.32 -39.0 88.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.943 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.5 mt-30 -65.2 -40.05 93.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.903 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -62.16 -37.15 84.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.055 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.99 -45.55 88.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.479 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.78 -51.36 69.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.597 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.22 -35.77 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.792 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD2' HD22 ' A' ' 91' ' ' LEU . 46.6 t80 -68.58 -47.12 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.675 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -61.83 -31.06 71.27 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -82.39 -1.55 50.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.22 27.47 57.71 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 114.153 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -91.75 87.31 6.24 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.794 -0.763 . . . . 0.0 111.589 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.78 -29.12 64.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.293 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.44 -50.02 66.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.1 t -74.88 -32.31 61.83 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.031 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.3 tp -61.58 -47.65 84.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 36' ' ' LEU . 10.8 pt-20 -60.29 -42.09 94.75 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.44 -40.93 85.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.3 t -66.3 -32.76 59.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.033 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.08 -39.6 82.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.641 0.258 . . . . 0.0 110.4 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.12 -32.97 74.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 109.942 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.1 tp10 -67.36 -43.9 80.32 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 43' ' ' ILE . 47.8 mm -62.35 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.844 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 48.1 mt-10 -56.7 -41.48 77.47 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.352 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.51 -35.43 73.21 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 71.8 mt -68.23 -35.28 77.7 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.797 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -59.86 -44.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 71.5 mm-40 -69.63 -39.28 77.26 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.419 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.4 -44.59 96.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.407 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -70.17 -42.59 72.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.371 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -66.86 -31.78 72.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.563 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 53.2 mm-40 -60.71 -36.85 79.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 111.354 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' A' ' 5' ' ' LYS . 94.7 mt -75.57 -28.82 59.12 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.038 0.447 . . . . 0.0 110.029 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -68.62 -28.75 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.673 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 CA--C 1.518 -0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.331 178.367 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 tp10 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.709 0.29 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.2 93.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.72 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -62.68 -44.57 95.91 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.931 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.537 ' OE1' ' HE3' ' A' ' 100' ' ' LYS . 34.5 mt-30 -65.35 -34.55 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -43.02 99.88 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.651 176.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.39 -45.69 87.83 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 120.973 0.416 . . . . 0.0 110.153 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.08 -42.49 96.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.848 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -62.84 -39.21 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.391 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 65' ' ' GLY . 81.8 t -65.15 -41.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.09 -36.01 81.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.486 0.66 . . . . 0.0 109.592 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -69.28 -42.26 75.73 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.031 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.65 -37.22 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.058 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -58.65 -45.02 90.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -64.08 -39.16 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.41 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.445 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.8 t80 -63.02 -48.77 77.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.459 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 76' ' ' ARG . 5.2 tpt180 -58.39 -46.4 86.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.695 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.75 -34.26 75.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.13 -30.94 67.12 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.0 mt -74.32 -41.25 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.99 -32.05 73.46 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.094 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -85.13 -3.25 58.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.817 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.81 26.21 73.92 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.7 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.546 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -92.53 76.78 5.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.587 0.708 . . . . 0.0 111.156 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 87' ' ' LEU . 74.5 mmtt -56.4 -25.31 49.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.726 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -60.15 -50.6 73.05 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.494 0.664 . . . . 0.0 110.295 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -72.85 -30.92 64.39 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.727 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 50.3 mt -60.22 -47.06 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.9 -45.5 90.13 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.04 -46.0 65.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.695 0.283 . . . . 0.0 111.707 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.11 -33.11 75.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.541 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD22 ' CD2' ' A' ' 24' ' ' PHE . 42.4 tp -63.53 -43.04 98.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.975 0.417 . . . . 0.0 110.202 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.41 -44.67 95.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.139 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.726 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.99 -47.28 85.51 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.345 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.0 tt0 -61.68 -46.21 90.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.833 -178.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -68.89 -41.06 78.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.994 0.426 . . . . 0.0 111.459 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.57 80.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.15 -44.99 78.42 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.504 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.4 mm-40 -61.89 -36.3 80.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.2 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.537 ' HE3' ' OE1' ' A' ' 64' ' ' GLN . 27.9 ttpt -70.87 -38.44 73.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.404 -176.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.59 -41.35 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.437 HH11 HG21 ' A' ' 14' ' ' VAL . 35.3 mtp85 -61.83 -38.27 87.56 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 47.9 mt-10 -60.47 -38.54 84.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.847 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.22 -38.98 86.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.025 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 64.39 7.69 3.78 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.46 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 52.9 m-85 -68.02 -28.91 67.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 40.7 tt0 -73.62 -42.07 61.96 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.82 -50.26 69.61 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.169 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.2 mt -49.81 -38.42 34.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.698 174.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.629 ' HA ' F22D ' A' ' 201' ' ' 7BU . 80.3 mtt180 -70.23 -44.61 68.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.521 0.2 . . . . 0.0 111.282 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 88.6 mt-30 -66.62 -32.11 73.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.854 0.359 . . . . 0.0 110.957 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -87.97 -19.11 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.215 0.531 . . . . 0.0 110.338 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -81.21 -42.74 9.15 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.56 -47.87 78.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.923 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -64.93 -40.43 95.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.426 HD23 ' HB2' ' A' ' 42' ' ' LEU . 3.4 tm? -60.96 -46.44 90.71 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.107 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG21 ' HD2' ' A' ' 102' ' ' ARG . 73.0 t -63.56 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.437 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.59 -41.65 81.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.4 80.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.226 0.536 . . . . 0.0 109.995 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -64.8 -39.52 93.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.073 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -65.98 -37.44 85.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.63 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.16 -35.54 80.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.769 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.46 -36.89 83.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.93 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.48 -44.74 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.842 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.69 -51.85 67.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.303 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' A' ' 35' ' ' VAL . 81.4 mt -57.71 -35.39 50.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.485 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.3 -47.4 70.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -63.41 -27.07 69.04 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.263 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.43 -4.07 58.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.487 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.77 27.92 56.41 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.301 -0.476 . . . . 0.0 114.081 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.01 84.85 5.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.432 0.616 . . . . 0.0 110.838 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -57.0 -28.42 62.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.412 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.13 -49.38 70.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.041 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -73.58 -31.82 63.8 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.13 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.7 tp -60.0 -45.4 92.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.412 -177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.22 -42.65 98.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.68 0.276 . . . . 0.0 111.475 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.12 -43.75 97.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.108 0.48 . . . . 0.0 110.647 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 23' ' ' ILE . 53.0 t -70.28 -35.44 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 81.8 mt -60.88 -36.58 79.57 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.963 0.411 . . . . 0.0 110.275 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 53.0 mm-40 -70.56 -40.65 73.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp10 -62.17 -43.2 99.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.356 0.598 . . . . 0.0 109.6 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 43' ' ' ILE . 61.7 mt -63.36 -47.04 93.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.398 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -57.28 -40.48 77.83 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.69 178.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 51.4 mm-40 -65.99 -38.98 89.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 110.196 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.3 mt -69.36 -36.26 76.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.0 mt -61.53 -46.19 97.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 81.8 mm-40 -63.13 -41.88 99.4 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.407 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.66 -40.84 96.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.323 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -78.54 -44.0 25.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.677 ' HG3' F23B ' A' ' 201' ' ' 7BU . 33.6 ttt-85 -65.17 -38.05 89.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.755 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -58.1 -33.52 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.26 -37.43 87.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.195 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -77.65 -33.0 53.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -67.2 -38.01 84.61 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -62.52 -67.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.276 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 53' ' ' ARG . 43.0 mtt180 -113.6 103.39 11.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.907 0.384 . . . . 0.0 110.67 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -81.73 77.29 8.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.077 0.465 . . . . 0.0 110.812 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.41 -62.38 1.36 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.053 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HA ' F21A ' A' ' 201' ' ' 7BU . . . 65.88 167.32 0.2 Allowed 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.641 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -95.87 -8.64 33.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.02 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 174.22 158.75 0.16 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.811 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.9 p -74.59 -33.94 62.75 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.35 -38.96 91.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.495 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.42 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.67 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.44 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.199 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.62 -44.95 95.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.205 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.42 -29.87 65.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.57 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.3 -49.32 66.65 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.74 -37.32 87.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.874 0.368 . . . . 0.0 110.717 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -62.53 -40.75 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.258 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -61.78 -37.95 86.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 65' ' ' GLY . 58.3 t -65.54 -38.88 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.449 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 77.8 mt-30 -68.7 -38.71 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.214 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.83 -39.26 93.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.831 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 28.6 mt-30 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.378 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 99.1 mtt180 -67.31 -37.14 82.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.0 -47.82 83.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.646 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -65.4 -36.71 84.79 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.987 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 37.8 mt-10 -61.55 -36.84 81.75 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.73 -30.54 68.18 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.16 -40.42 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.86 -33.6 75.06 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.45 -6.13 58.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.86 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.77 27.61 73.04 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.336 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.623 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t70 -91.35 96.97 10.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -72.29 -33.13 67.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.221 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.74 -49.62 74.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.795 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -65.64 -30.72 71.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.726 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.9 mt -59.02 -47.5 84.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.619 0.247 . . . . 0.0 111.032 -178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.34 -41.14 98.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.189 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -68.93 -46.64 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 111.359 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.45 -33.58 76.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.87 -42.92 99.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.229 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.15 -45.03 95.22 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.045 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.82 -35.77 81.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.009 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.18 -48.27 76.57 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.822 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.935 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -64.95 -42.12 94.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.061 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -42.72 87.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.941 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.655 ' HA ' F22C ' A' ' 201' ' ' 7BU . 9.0 tt -61.97 -46.88 87.32 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.719 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.817 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' A' ' 100' ' ' LYS . 9.6 mtpm? -71.57 -44.13 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.559 0.219 . . . . 0.0 111.439 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.491 HD12 F21C ' A' ' 201' ' ' 7BU . 95.9 mt -60.94 -46.21 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.604 ' HD2' HG21 ' A' ' 14' ' ' VAL . 42.0 mtp85 -59.0 -42.87 91.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.587 0.232 . . . . 0.0 111.497 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.57 -46.02 91.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.906 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.1 mt -65.83 -42.8 90.08 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.8 -28.06 68.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -76.46 -11.2 59.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -143.43 -163.98 1.76 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.519 ' HD3' ' C ' ' A' ' 108' ' ' LYS . 7.4 tmtt? -122.05 116.18 23.81 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 108' ' ' LYS . 8.5 t30 . . . . . 0 C--N 1.313 -1.021 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.308 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.736 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 120.885 0.374 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' OE2' ' HD3' ' A' ' 53' ' ' ARG . 1.6 mp0 -91.09 -25.51 19.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -65.03 -44.79 87.96 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.901 0.382 . . . . 0.0 111.043 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.1 -42.36 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.014 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.94 -45.96 91.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.143 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 mt -48.64 -51.31 28.9 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.007 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.624 ' HA ' F22D ' A' ' 201' ' ' 7BU . 53.1 mtt-85 -64.68 -44.53 90.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.722 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.549 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 54.1 tt0 -60.12 -47.57 85.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.288 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 p -67.59 -21.82 65.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.76 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.56 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -74.35 -47.62 16.56 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 177.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -56.46 -42.04 77.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.104 -0.548 . . . . 0.0 110.723 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 51.7 mt-10 -61.25 -46.07 91.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.302 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.77 -44.77 96.24 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 97.7 t -60.63 -47.61 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.736 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.33 -38.94 74.86 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.395 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.98 77.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -67.21 -38.98 86.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.422 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 87.0 mt-30 -62.4 -37.4 85.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 0.0 109.88 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.578 ' O ' HG12 ' A' ' 23' ' ' ILE . 5.9 ttp180 -68.75 -35.63 77.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.908 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.78 -39.4 88.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -64.47 -46.55 82.58 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.755 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 28.2 tt0 -61.21 -50.01 74.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.896 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 19' ' ' ARG . 48.7 mm -54.68 -37.29 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -70.31 -46.66 63.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.164 0.507 . . . . 0.0 109.941 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.55 -22.03 64.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.326 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 50.9 mtmt -93.09 -6.53 47.87 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.83 26.9 61.1 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.471 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -87.17 80.79 8.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.595 . . . . 0.0 110.021 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.46 -31.01 65.51 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.191 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.91 -48.15 77.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.447 0.641 . . . . 0.0 109.681 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.443 ' OG ' HD12 ' A' ' 23' ' ' ILE . 86.5 p -71.75 -31.01 66.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.956 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 50.0 tp -59.65 -40.97 89.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.285 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 33.7 tt0 -58.37 -44.6 88.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.563 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.27 -39.12 93.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.78 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' ILE . 96.1 t -70.38 -38.23 73.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.753 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.4 mt -61.48 -37.27 83.01 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 41.4 mt-10 -67.21 -40.14 86.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.0 109.854 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.4 mt-10 -67.71 -42.28 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.189 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 43' ' ' ILE . 73.2 mt -63.58 -48.59 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 13.3 tm-20 -57.82 -38.26 75.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.86 -40.48 83.64 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.001 0.429 . . . . 0.0 110.571 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 97.3 mt -68.94 -35.73 77.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.7 mt -60.94 -45.55 98.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 74.0 mm-40 -65.65 -44.81 85.23 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.271 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.76 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.68 -44.61 32.97 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.822 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 24.2 ttt180 -71.5 -31.51 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 93.9 mt-30 -58.34 -31.32 67.46 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.261 0.553 . . . . 0.0 110.501 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.43 -36.14 65.89 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.955 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.87 -34.45 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.488 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.508 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 63.7 m-20 -70.22 -34.44 72.9 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.2 0.524 . . . . 0.0 110.484 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -87.86 15.07 7.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.099 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.452 ' HD3' ' OE2' ' A' ' 2' ' ' GLU . 13.0 mmm180 -133.75 -65.92 0.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 65.12 153.14 0.06 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.447 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 54.47 32.06 15.99 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.83 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.97 -33.16 70.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.44 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HB3' F23A ' A' ' 201' ' ' 7BU . . . -147.87 -159.31 1.01 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.689 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.05 154.29 42.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.225 0.328 . . . . 0.0 110.358 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.3 m -70.98 -26.25 63.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.548 0.213 . . . . 0.0 111.356 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 29.6 tt0 -61.57 -42.19 98.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.956 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.53 92.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.811 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.29 93.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.38 -44.67 94.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.983 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.549 ' OE1' ' HA ' ' A' ' 101' ' ' ILE . 3.4 pt20 -70.54 -29.0 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.969 0.414 . . . . 0.0 110.129 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.78 -48.39 77.32 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.9 m-20 -63.54 -37.55 87.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.733 0.302 . . . . 0.0 110.711 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -61.75 -42.42 98.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.285 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -61.91 -37.95 86.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.767 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 65' ' ' GLY . 94.2 t -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.981 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 70.9 mm-40 -62.18 -42.61 99.44 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.01 -39.2 91.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -63.98 -42.49 97.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.379 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 92.7 mt-30 -60.85 -44.57 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.079 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 83.4 mtt180 -65.41 -36.89 85.31 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.54 -47.98 83.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.166 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -65.42 -37.57 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.16 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -38.1 87.53 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.743 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.03 -33.01 74.77 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.531 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.73 -34.75 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.179 0.514 . . . . 0.0 109.685 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -73.21 -34.98 66.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.925 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -81.57 -7.86 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.499 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.16 24.64 76.45 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.657 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.439 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t0 -92.41 96.27 10.15 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -73.48 -31.59 63.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.969 -177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.63 -44.68 93.17 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.463 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.9 m -65.74 -30.54 71.21 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.573 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.9 mt -59.03 -47.25 85.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.161 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -61.81 -41.65 98.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.907 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 -45.22 68.34 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.95 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.84 -36.68 84.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.76 -44.93 94.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.411 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.11 -41.77 85.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.837 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.4 mt -64.56 -48.47 74.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.767 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 29.5 tt0 -60.79 -45.74 93.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.65 -39.7 91.68 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.204 0.526 . . . . 0.0 110.797 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.559 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.06 -45.36 70.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.519 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.2 tt -61.74 -46.01 91.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.996 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 73.4 mm-40 -60.49 -41.14 93.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.328 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -72.14 -37.02 69.51 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.865 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 97' ' ' ALA . 79.4 mt -61.58 -46.97 95.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.953 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -62.18 -35.25 78.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 109.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.18 -47.46 79.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.916 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.8 mt -73.86 -39.78 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.922 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.7 -28.89 69.91 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.792 0.329 . . . . 0.0 111.374 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -91.34 -7.78 49.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.059 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 59.6 tttp -163.68 -108.19 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 58.1 tttm 157.7 -59.0 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.365 1.066 . . . . 0.0 109.999 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.318 -0.762 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.236 -178.632 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.702 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.467 0.396 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.476 ' HG3' ' HG2' ' A' ' 53' ' ' ARG . 5.3 mm-40 -82.92 -45.13 14.55 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.202 -172.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -60.96 -35.19 76.13 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -66.18 -48.17 71.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -69.8 -40.47 75.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.08 -53.11 21.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.63 ' HA ' F22D ' A' ' 201' ' ' 7BU . 16.4 ptt180 -67.22 -37.55 83.79 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.725 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.79 -44.78 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.935 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -73.32 -19.69 60.97 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.959 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -75.54 -49.25 9.34 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.81 -45.03 82.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.487 -0.357 . . . . 0.0 110.915 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.13 -42.31 99.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.374 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.18 -42.15 98.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.748 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.565 HG21 ' HD2' ' A' ' 102' ' ' ARG . 87.9 t -61.74 -47.27 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.834 0.35 . . . . 0.0 110.516 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -58.12 -45.11 87.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.54 77.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 110.781 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 63.9 t80 -64.56 -39.35 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.247 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -62.99 -38.28 90.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.598 ' O ' HG12 ' A' ' 23' ' ' ILE . 98.5 mtt180 -63.22 -34.23 77.2 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.218 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' C ' HD13 ' A' ' 20' ' ' LEU . 3.1 tm? -58.92 -40.22 83.89 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.69 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -66.42 -42.01 88.39 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.7 -33.05 74.79 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.418 -177.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 19' ' ' ARG . 49.6 mm -78.74 -38.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.516 0.674 . . . . 0.0 109.574 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -72.69 -46.45 53.71 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.662 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.33 -26.18 68.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.152 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -92.68 0.78 57.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.428 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.56 28.25 71.03 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -86.12 79.69 9.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.471 0.636 . . . . 0.0 110.287 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.14 -32.78 64.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.34 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.26 -49.72 72.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.65 0.262 . . . . 0.0 111.379 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -74.91 -32.21 61.74 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.0 tt -59.59 -47.22 86.41 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.167 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.17 -44.21 87.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.96 -41.61 95.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 39' ' ' ILE . 73.4 t -63.85 -34.54 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.08 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.1 mt -59.28 -41.38 88.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.513 0.197 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.8 -32.88 72.92 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.627 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.26 -37.37 77.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.942 0.401 . . . . 0.0 110.015 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -63.55 -48.78 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.336 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.24 -35.91 72.41 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.177 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.2 -45.13 89.63 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.414 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -36.45 78.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.323 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.5 mt -62.32 -48.01 90.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.632 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -63.94 -45.56 88.66 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.73 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.007 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.0 -43.94 41.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 47' ' ' ARG . 23.6 ttt180 -68.41 -32.32 72.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.54 -35.24 72.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -70.19 -32.45 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.363 0.601 . . . . 0.0 109.77 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.73 -30.49 64.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.56 -23.85 56.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.9 -61.69 2.14 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.299 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HG3' ' A' ' 2' ' ' GLU . 22.0 mmt180 -79.57 154.95 28.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.089 0.471 . . . . 0.0 111.252 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -81.26 -56.88 3.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.704 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -61.09 128.34 35.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.92 -13.24 56.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.28 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 68.92 -67.49 0.21 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.592 0.757 . . . . 0.0 111.091 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -120.27 115.43 23.57 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -85.58 -23.47 27.6 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.595 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.99 -45.38 67.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.806 0.336 . . . . 0.0 110.337 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.93 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.132 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.32 83.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.631 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.93 -29.36 66.49 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.39 -47.84 80.19 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.21 -37.8 86.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.474 0.178 . . . . 0.0 111.431 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -42.8 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.593 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -61.31 -40.08 92.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 0.0 110.169 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' GLY . 91.9 t -67.82 -40.43 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.03 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.87 -46.51 78.18 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.358 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.99 -38.6 91.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 77.9 t80 -68.86 -40.51 79.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.36 . . . . 0.0 110.577 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 21.1 tp60 -60.43 -45.81 92.3 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.2 -32.39 73.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.135 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 72' ' ' PHE . 69.3 t80 -59.44 -48.09 82.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.814 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' HD13 ' A' ' 36' ' ' LEU . 11.7 ttt180 -65.59 -37.26 86.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.75 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 46.6 mt-10 -61.14 -34.2 74.62 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.46 82.33 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.709 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.29 -43.77 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.096 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -64.23 -34.61 78.5 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -82.2 -2.89 53.77 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.376 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.78 20.42 79.77 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.594 -0.812 . . . . 0.0 113.567 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -92.97 97.6 10.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.991 0.424 . . . . 0.0 110.618 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -78.07 -28.68 48.89 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.463 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.32 -50.87 72.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.231 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 p -64.11 -28.94 70.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.119 -177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 65.4 mt -59.33 -47.88 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.657 0.265 . . . . 0.0 111.675 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.86 -44.38 73.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.94 0.4 . . . . 0.0 111.038 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.04 -30.98 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 91' ' ' LEU . 28.5 mt -63.62 -43.57 96.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.88 -42.53 97.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.97 -42.32 99.8 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.869 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.16 -44.68 96.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.96 -37.73 88.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.528 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 51.6 mt-30 -67.95 -43.92 77.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.363 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.594 HD12 F23C ' A' ' 201' ' ' 7BU . 2.5 tp -60.84 -47.51 86.02 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -62.01 -37.56 85.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.048 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 97.2 mttt -68.62 -44.29 74.56 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.637 0.256 . . . . 0.0 111.178 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.486 HD12 F21C ' A' ' 201' ' ' 7BU . 91.4 mt -60.98 -46.72 96.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.565 ' HD2' HG21 ' A' ' 14' ' ' VAL . 8.9 mtp180 -59.08 -41.05 87.07 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.464 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 42.6 mt-10 -60.27 -46.53 89.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.907 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.92 -42.21 85.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.72 -35.5 65.1 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.27 -20.15 32.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.899 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 30.9 tttp -79.28 33.16 0.23 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.114 0.483 . . . . 0.0 110.865 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -135.82 -84.7 0.38 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.879 -0.581 . . . . 0.0 110.265 176.345 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.743 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.233 0.208 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -86.85 125.51 34.03 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -66.15 -24.73 66.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.031 0.443 . . . . 0.0 110.461 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.86 -34.03 77.4 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.944 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -66.83 -26.46 66.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.32 0.581 . . . . 0.0 110.0 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.09 -46.01 25.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.587 ' HA ' F21D ' A' ' 201' ' ' 7BU . 47.3 ttp180 -67.67 -37.2 82.02 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.364 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 21.8 tm0? -61.77 -47.44 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.25 -23.39 67.04 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.201 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.95 -48.87 10.67 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -57.18 -40.62 77.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.449 0.3 . . . . 0.0 110.608 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 13.8 mm-40 -61.95 -43.9 97.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.037 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.8 t -62.46 -43.74 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.299 0.571 . . . . 0.0 109.845 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -57.74 -45.55 85.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.449 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.14 82.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.16 -39.46 94.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.065 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -64.68 -43.95 91.9 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 76.7 ttt180 -62.63 -35.96 81.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.818 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' A' ' 39' ' ' ILE . 40.5 tp -61.89 -40.96 97.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.257 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.6 tpt180 -65.66 -40.61 92.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 36.4 mt-10 -61.98 -52.48 63.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 HG13 HG21 ' A' ' 35' ' ' VAL . 44.7 mm -57.47 -35.98 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.48 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.7 -47.97 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.708 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -64.56 -21.23 66.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.394 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 74.8 mmtt -88.66 -9.59 51.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.035 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 28.43 57.06 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.405 -0.426 . . . . 0.0 113.419 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -95.72 90.43 5.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.334 0.567 . . . . 0.0 111.604 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.15 -32.4 64.24 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -67.69 -48.27 67.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.742 0.306 . . . . 0.0 111.397 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -72.48 -30.34 64.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.917 0.389 . . . . 0.0 109.971 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.4 tp -60.05 -40.18 88.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.274 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.83 -40.1 87.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.3 0.571 . . . . 0.0 110.184 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -69.26 -45.32 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.056 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.487 HG21 HG13 ' A' ' 23' ' ' ILE . 79.9 t -66.3 -35.12 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 111.033 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -60.85 -33.9 73.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.721 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.27 -38.31 75.05 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 7.6 mm-40 -62.58 -44.74 95.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 43' ' ' ILE . 81.1 mt -63.62 -47.93 89.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.087 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.06 -37.36 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.633 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.32 -44.96 86.14 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.261 0.553 . . . . 0.0 110.248 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.2 mt -69.76 -36.6 75.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.754 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.6 mt -61.46 -47.65 92.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.579 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 83.3 mm-40 -65.47 -45.76 82.46 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.49 -34.45 75.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -76.6 -43.95 36.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.163 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 47' ' ' ARG . 19.1 ttt180 -66.72 -30.93 71.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.273 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.8 mt-30 -57.65 -37.4 73.3 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.699 0.285 . . . . 0.0 110.839 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.47 -33.64 76.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.23 0.538 . . . . 0.0 110.233 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -75.32 -34.25 61.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.86 -26.98 60.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.515 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -49.7 -53.31 25.35 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.567 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -174.62 34.6 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 73.95 -57.78 0.61 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.419 0.688 . . . . 0.0 112.038 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 70.21 -52.79 0.64 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.789 0.835 . . . . 0.0 111.866 -177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB3' F23A ' A' ' 201' ' ' 7BU . . . -97.33 119.39 35.76 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.99 54.68 1.34 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -143.04 121.74 12.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.801 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 m -87.05 -33.56 19.48 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.72 -37.24 84.29 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.288 -0.565 . . . . 0.0 112.009 -175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.05 83.76 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.056 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.451 ' HB2' F22A ' A' ' 201' ' ' 7BU . . . -67.79 -35.23 78.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.403 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.467 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.19 -41.01 86.57 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.01 -40.3 98.29 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -44.57 94.86 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.726 0.298 . . . . 0.0 110.451 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.45 -39.84 95.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.2 -38.16 82.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.985 0.421 . . . . 0.0 110.242 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 93.3 t -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.455 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.84 -39.76 83.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.336 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.3 -39.86 94.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.825 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -63.2 -39.15 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.325 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.33 -42.26 98.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.189 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -68.23 -35.16 77.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.144 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.2 -48.09 81.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.616 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -58.75 -39.43 80.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.28 -36.23 82.44 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.145 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.49 -31.36 69.59 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.592 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.61 -37.58 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.71 -32.48 72.32 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.726 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.46 -11.58 58.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.787 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.34 26.2 73.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.051 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.6 t70 -93.17 100.26 12.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.052 0.453 . . . . 0.0 110.218 -176.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -69.44 -31.54 69.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -175.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.8 m-20 -64.82 -51.13 63.76 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.192 -176.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 p -65.72 -31.53 72.57 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.9 mt -59.82 -48.04 83.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.277 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 85' ' ' ASP . 76.4 mm-40 -68.35 -45.24 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.945 0.402 . . . . 0.0 111.196 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.2 mt -69.27 -37.43 77.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.17 -42.83 99.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.56 -42.53 98.33 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.209 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.98 -40.18 94.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.187 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 79.1 mt -60.78 -45.59 93.78 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.51 -44.98 95.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.549 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tt0 -68.18 -42.91 79.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.896 0.379 . . . . 0.0 111.091 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.7 -41.1 84.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.134 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.587 ' HA ' F22C ' A' ' 201' ' ' 7BU . 8.2 tt -61.32 -46.91 88.31 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.336 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.86 -35.65 80.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.319 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 65.5 mttm -71.47 -40.62 70.16 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.177 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.479 HD12 F21C ' A' ' 201' ' ' 7BU . 96.3 mt -61.55 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -58.21 -37.14 74.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.957 0.408 . . . . 0.0 111.056 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.1 -46.11 78.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.808 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.672 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 64.4 mt -73.63 -42.44 61.44 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.572 ' HB1' ' C2D' ' A' ' 201' ' ' 7BU . . . -62.63 -33.12 74.37 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -88.74 0.08 56.82 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.772 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -176.46 99.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 104' ' ' LEU . 25.2 tptp -141.37 119.16 11.77 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -174.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 53.5 t30 . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 174.297 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.743 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.028 0.442 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -107.1 -46.05 4.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.559 -177.58 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -65.71 -32.99 74.85 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 11.0 mm-40 -66.77 -48.14 70.01 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.183 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -64.49 -42.29 95.95 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.58 -51.13 39.33 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.139 172.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.654 ' HA ' F22D ' A' ' 201' ' ' 7BU . 35.8 ttp85 -63.59 -44.1 95.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 76.6 mm-40 -60.78 -43.52 97.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p -68.65 -20.18 64.44 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -72.84 -44.39 38.12 Favored Glycine 0 N--CA 1.438 -1.218 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.536 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 6.8 m-20 -57.13 -42.71 81.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.077 -0.561 . . . . 0.0 110.857 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.03 -43.56 98.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD23 F23C ' A' ' 201' ' ' 7BU . 35.8 tp -61.13 -41.33 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 96.6 t -63.05 -44.34 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.26 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 95.7 mt-30 -57.5 -44.57 85.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.414 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.31 81.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.797 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.72 -39.16 90.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.476 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 95.9 mt-30 -64.02 -37.22 86.64 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.175 0.512 . . . . 0.0 109.783 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -69.34 -36.02 76.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.382 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.31 -43.57 98.52 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.971 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.4 mmm180 -63.49 -46.71 84.9 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.769 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.05 -52.53 64.55 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.851 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.585 HG23 ' HB3' ' A' ' 28' ' ' ASP . 77.2 mt -60.99 -36.51 72.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.058 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -68.79 -47.93 64.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 109.839 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.08 -23.66 66.64 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.462 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -90.37 1.73 56.29 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.873 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.63 56.62 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 114.367 0.507 . . . . 0.0 114.367 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.585 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.9 t0 -91.14 83.19 5.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.482 0.641 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.76 -34.67 67.8 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.404 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.07 -49.52 69.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.5 t -74.39 -30.4 61.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.871 0.367 . . . . 0.0 110.342 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -60.26 -42.43 95.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.563 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 36' ' ' LEU . 44.7 mt-10 -62.72 -40.78 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.308 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.3 -41.0 98.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.382 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 23' ' ' ILE . 80.1 t -70.09 -33.21 54.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.403 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.0 mt -59.02 -40.42 84.93 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.9 tt0 -65.57 -38.93 90.97 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.945 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.5 -41.84 99.09 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.489 ' O ' HG13 ' A' ' 43' ' ' ILE . 77.4 mt -63.37 -47.83 90.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.372 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.87 -41.21 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.65 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 49.1 mt-10 -63.3 -44.22 95.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.665 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.26 -36.21 83.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.356 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 39' ' ' ILE . 83.0 mt -62.22 -47.26 93.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.127 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -64.93 -45.66 84.88 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.174 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.49 -33.89 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.808 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -76.23 -43.0 44.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.063 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -68.04 -37.11 80.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.668 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.87 -31.87 68.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.3 -32.46 70.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -77.71 -31.16 52.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.703 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.53 -37.94 41.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.063 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -81.08 6.98 12.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -126.12 -176.61 3.69 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.239 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -78.18 164.51 24.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.356 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.3 117.31 11.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.223 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.87 154.9 35.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.46 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.51 22.78 0.55 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.251 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.19 95.52 4.84 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -85.68 -37.79 19.04 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.973 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -60.96 -45.45 94.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.2 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.91 97.53 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.358 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 110.771 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -64.68 -45.28 87.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.49 -28.97 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.012 0.434 . . . . 0.0 110.424 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.93 -46.88 88.03 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -65.34 -36.32 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.442 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.6 -41.3 98.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.723 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.56 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.949 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.61 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 71.9 t -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.395 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.465 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 64.8 tt0 -66.44 -43.99 84.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.569 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.15 -37.01 81.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.9 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.79 -37.05 83.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.19 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.7 mt-30 -59.57 -43.55 93.59 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 70' ' ' GLN . 10.1 mpt_? -65.81 -39.87 91.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.126 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.34 -48.28 82.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.841 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -61.5 -43.28 99.15 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.26 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.14 -38.54 91.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.86 87.87 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.06 -41.95 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.596 0.236 . . . . 0.0 111.086 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.52 -32.66 74.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.942 0.401 . . . . 0.0 110.696 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -84.46 -0.41 52.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.869 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.61 15.45 70.91 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.138 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.602 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 16.1 t0 -83.47 94.28 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.219 0.533 . . . . 0.0 110.558 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -31.46 57.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.334 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.474 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -67.43 -30.68 70.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.477 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 78.6 mt -59.08 -46.69 87.64 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.459 -176.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.12 -46.24 85.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 110.731 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 11.3 mm100 -68.69 -46.84 67.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.491 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.76 -32.56 72.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -67.69 -40.9 84.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.792 0.33 . . . . 0.0 110.454 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 56.9 mm-40 -64.14 -38.15 90.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 68.0 mm-40 -62.06 -41.23 97.92 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.09 -46.55 86.87 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 31.6 tt0 -61.47 -46.82 88.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.354 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 97.0 mt-30 -63.67 -38.99 93.2 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.88 0.371 . . . . 0.0 111.153 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.69 76.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.247 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.402 ' HG ' F22C ' A' ' 201' ' ' 7BU . 10.4 tt -61.77 -41.76 98.12 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.06 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.73 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.6 mm-40 -60.66 -41.55 95.23 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 74.3 mmtt -67.27 -44.41 79.41 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.648 0.261 . . . . 0.0 111.309 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.461 HD12 F21C ' A' ' 201' ' ' 7BU . 87.0 mt -61.76 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -59.09 -43.25 91.81 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.877 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 21.1 mm-40 -60.14 -43.12 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.233 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.28 -40.11 71.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.571 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.5 -30.65 68.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.879 0.371 . . . . 0.0 111.424 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -85.34 -29.44 24.48 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.625 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -159.2 102.39 1.6 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.623 0.369 . . . . 0.0 110.477 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -77.8 141.02 39.46 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.471 -175.567 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.705 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.313 0.577 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -168.98 -31.9 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.184 -178.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.01 -33.64 76.21 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -33.64 61.11 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.75 -26.76 67.14 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.061 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 96.7 mt -77.6 -44.63 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HA ' F22D ' A' ' 201' ' ' 7BU . 60.2 ttm-85 -68.48 -34.63 76.27 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.316 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 34.7 tt0 -65.74 -35.77 81.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.764 0.316 . . . . 0.0 110.645 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.5 p -85.19 -19.78 31.19 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.21 0.529 . . . . 0.0 109.949 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.37 -44.71 10.75 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -55.07 -46.63 75.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 122.55 0.34 . . . . 0.0 110.816 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 42.1 mm-40 -61.82 -44.99 95.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.422 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.25 -48.25 82.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.265 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.57 -48.31 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.58 -46.46 86.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.04 -36.06 77.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.63 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 84.8 t80 -66.13 -39.85 90.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.07 0.462 . . . . 0.0 110.322 178.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -64.2 -43.77 94.0 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 23' ' ' ILE . 31.5 tpt180 -64.08 -34.74 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.008 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 50.9 tp -59.13 -39.08 81.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.85 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.1 ttp180 -67.84 -35.89 79.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.307 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.52 -30.17 70.89 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.223 0.535 . . . . 0.0 110.414 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.443 ' CD1' HG21 ' A' ' 35' ' ' VAL . 79.0 mt -75.91 -34.42 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -69.6 -37.23 76.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.784 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.06 -32.94 71.41 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.959 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -87.61 -7.44 57.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.928 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.2 29.37 68.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.601 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -85.3 80.41 9.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.162 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 m-20 -56.3 -28.73 59.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.799 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.48 -50.37 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.03 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -75.23 -32.25 61.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -59.91 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.479 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 45.2 mt-10 -57.29 -46.25 83.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.79 0.329 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -67.01 -41.61 86.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.133 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.3 t -71.42 -36.24 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.4 mt -59.53 -38.86 82.13 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.527 0.203 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.4 mt-10 -64.68 -44.73 89.39 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.571 177.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 14.3 tp10 -62.2 -41.76 98.66 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.59 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 35' ' ' VAL . 41.3 mm -60.06 -49.18 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.5 tt0 -58.12 -39.33 78.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 46.4 mt-10 -70.4 -35.14 73.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.5 mt -65.25 -36.97 85.77 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.7 mt -60.86 -43.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.297 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 73.9 mm-40 -64.51 -44.45 90.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 89.3 mttt -62.16 -39.0 91.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -76.39 -44.6 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -63.0 -36.61 84.12 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.95 -32.75 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.533 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.6 -33.1 64.44 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -72.07 -30.2 64.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.192 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.27 -20.79 63.03 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -97.36 -74.9 0.56 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.547 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -90.7 121.14 32.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -93.38 -89.57 0.21 Allowed 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.594 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.85 48.05 12.05 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.199 0.523 . . . . 0.0 112.36 -178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HA ' F23A ' A' ' 201' ' ' 7BU . . . -73.87 -24.03 59.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.77 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 71.19 -54.57 0.67 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.632 0.773 . . . . 0.0 111.255 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.45 120.63 40.19 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 p -65.91 -28.78 69.19 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -69.16 -33.35 73.26 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.659 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.81 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.42 96.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.488 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.99 -33.53 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.797 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -63.94 -39.99 95.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.74 -43.49 99.17 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.95 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.7 -40.57 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.981 0.42 . . . . 0.0 110.775 176.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.63 -37.64 82.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.693 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -62.54 -39.18 92.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' GLY . 73.6 t -65.29 -38.58 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.42 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -65.37 -45.17 85.17 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.082 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.87 91.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.389 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.4 -43.07 95.6 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.779 0.323 . . . . 0.0 110.221 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -64.85 -35.59 81.61 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -40.97 91.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.45 -47.84 80.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.171 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -63.57 -40.36 96.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.272 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' HG3' ' HE2' ' A' ' 81' ' ' LYS . 7.8 tp10 -63.15 -34.38 77.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.536 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.21 96.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.946 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 mm -60.39 -41.45 87.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 110.349 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.52 -37.14 86.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 77' ' ' GLU . 67.0 mttm -83.4 -7.45 59.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.797 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.8 25.38 75.23 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.605 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.42 96.46 10.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 -176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -72.51 -32.16 65.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -58.82 -48.4 81.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.208 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.1 m -69.14 -29.81 67.92 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 91.7 mt -59.68 -48.21 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -175.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.05 -46.66 87.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 111.273 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.03 -46.19 65.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.943 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.32 -34.41 76.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.761 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.36 -41.88 97.79 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 109.841 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -44.93 91.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.836 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.83 -36.87 82.44 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.914 0.388 . . . . 0.0 110.738 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.57 -45.21 95.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.873 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 30.2 mt-10 -61.83 -46.2 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -67.92 -35.78 79.03 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.489 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -68.63 -43.18 76.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.004 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.646 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.3 tt -61.18 -45.0 96.39 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.367 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 93.0 mt-30 -60.45 -39.36 87.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.959 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.09 -40.04 71.78 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 97' ' ' ALA . 92.6 mt -59.77 -47.79 90.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.912 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -58.98 -45.0 91.67 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.75 -44.92 92.07 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.556 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.29 -43.32 95.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.66 -32.07 70.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.17 2.3 48.32 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.3 0.571 . . . . 0.0 110.383 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt 55.85 66.6 1.17 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.741 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.4 tptm 65.79 1.6 1.87 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.556 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.394 -0.812 . . . . 0.0 110.762 179.634 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.695 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.514 ' HB3' ' OE2' ' A' ' 4' ' ' GLU . 25.4 m . . . . . 0 N--CA 1.467 0.403 0 CA-C-O 121.108 0.48 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.445 ' HG3' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -134.93 -26.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.553 -178.444 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -57.58 -26.56 61.66 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 1.8 mp0 -60.71 -49.28 78.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.578 ' HG3' HD11 ' A' ' 49' ' ' LEU . 16.8 tppt? -64.68 -42.0 95.66 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.138 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 49' ' ' LEU . 3.6 mm? -49.17 -53.71 19.79 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.568 ' HA ' F22D ' A' ' 201' ' ' 7BU . 6.4 tpt180 -63.02 -45.63 91.44 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.119 177.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 12.8 mm100 -60.8 -46.5 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.3 p -65.35 -26.36 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -70.67 -52.19 16.81 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 26.9 m-20 -55.4 -44.9 76.59 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.021 176.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 37.8 mt-10 -61.68 -41.5 97.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.545 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.85 -42.73 98.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 10' ' ' GLY . 73.0 t -61.31 -44.24 98.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.286 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -57.28 -45.59 83.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.32 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB1' HG12 ' A' ' 39' ' ' ILE . . . -68.13 -40.21 82.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.36 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 91.5 t80 -65.36 -43.77 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.301 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.19 -41.38 94.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.048 0.451 . . . . 0.0 109.787 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' HG12 ' A' ' 23' ' ' ILE . 52.5 ttt180 -63.14 -35.21 79.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.884 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 75' ' ' PHE . 47.6 tp -59.68 -41.08 89.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.304 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -67.04 -36.74 82.74 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.932 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 50.9 mt-10 -68.46 -30.06 68.84 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.686 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 19' ' ' ARG . 40.4 mm -73.81 -34.83 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -69.99 -37.65 75.79 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.824 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 22' ' ' GLU . 69.3 m-20 -61.4 -32.66 72.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.299 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 71.9 mmtt -89.01 -5.29 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.418 -175.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.94 65.87 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.825 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.27 103.1 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.463 0.649 . . . . 0.0 109.67 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.8 -42.41 60.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.446 -172.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.78 -34.98 72.36 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.566 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -70.04 -29.85 66.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.367 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.04 -41.48 83.31 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.556 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.08 -38.85 90.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.094 0.473 . . . . 0.0 110.065 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.71 -41.19 68.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.954 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG21 HG13 ' A' ' 23' ' ' ILE . 72.0 t -72.14 -45.56 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 55.0 mt -61.0 -35.94 78.16 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.435 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.4 tt0 -64.39 -45.27 88.41 Favored 'General case' 0 N--CA 1.428 -1.532 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.028 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.95 -37.41 87.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.961 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG12 ' HB1' ' A' ' 16' ' ' ALA . 78.2 mt -63.54 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.542 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.2 mt-10 -57.21 -37.92 72.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.338 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 45.4 mt-10 -63.19 -45.59 91.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.066 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.09 -38.6 79.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.987 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.6 mt -63.35 -46.97 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.42 -44.16 88.24 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.02 -34.73 75.3 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -76.81 -41.22 45.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.864 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.545 ' HG3' F23B ' A' ' 201' ' ' 7BU . 25.4 ttp180 -69.59 -36.53 76.33 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.389 178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -58.46 -30.43 66.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.834 0.35 . . . . 0.0 111.317 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.578 HD11 ' HG3' ' A' ' 5' ' ' LYS . 59.3 mt -63.48 -33.27 75.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.485 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.89 -30.63 40.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.678 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -68.0 -40.03 83.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.782 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.35 -59.42 5.48 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.282 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.445 ' HD3' ' HG3' ' A' ' 2' ' ' GLU . 10.7 ptm180 -122.95 106.82 11.18 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 120.996 0.427 . . . . 0.0 111.07 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -69.14 160.34 31.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.27 70.91 0.6 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.097 0.475 . . . . 0.0 110.775 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB3' F21A ' A' ' 201' ' ' 7BU . . . -81.23 -49.96 10.14 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.96 -120.37 0.13 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.03 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.46 163.25 14.72 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p -86.4 -19.27 29.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.756 0.312 . . . . 0.0 111.457 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 41.5 tt0 -63.74 -45.45 89.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.123 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.39 -37.38 83.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.27 66.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.733 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.08 -42.62 80.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.7 mm100 -65.68 -42.8 90.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.938 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.59 -35.53 91.96 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.663 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.61 -42.62 97.16 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.979 0.418 . . . . 0.0 110.635 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 71' ' ' LEU . 65.7 mt-30 -62.45 -43.13 99.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.082 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -61.25 -38.09 85.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.62 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -65.46 -40.32 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.512 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.04 -37.08 80.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.187 0.517 . . . . 0.0 110.565 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 67' ' ' GLN . 7.6 mp -69.08 -42.67 75.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -67.05 -40.2 87.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.603 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 6.3 tp-100 -63.76 -36.83 85.17 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -63.91 -39.31 93.88 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.184 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 79' ' ' ILE . 86.6 t80 -60.17 -45.15 94.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.822 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -58.69 -44.65 90.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 40.8 mt-10 -62.73 -35.65 80.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.088 0.47 . . . . 0.0 110.145 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.89 69.81 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.481 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.532 HD11 ' CE2' ' A' ' 75' ' ' PHE . 59.7 mt -74.11 -41.09 51.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.409 0.623 . . . . 0.0 109.418 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.96 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.578 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -89.63 -1.64 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.71 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.25 26.7 74.06 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.408 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.624 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.6 t70 -93.05 97.2 10.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.123 0.487 . . . . 0.0 110.04 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.15 -27.99 59.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.031 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.98 -50.36 73.71 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.116 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.2 m -67.52 -30.61 70.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.566 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 84.7 mt -59.18 -47.42 85.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.547 0.213 . . . . 0.0 111.204 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -64.82 -36.97 86.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -67.72 -45.5 74.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 93' ' ' GLU . 88.2 mt -68.12 -31.36 70.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.463 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 57.6 mt -65.27 -38.54 90.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.889 0.376 . . . . 0.0 110.028 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.49 -47.03 85.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.919 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' OE1' ' HG ' ' A' ' 71' ' ' LEU . 8.5 pt-20 -72.92 -33.63 66.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.759 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.21 -47.23 77.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.716 0.293 . . . . 0.0 110.775 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.56 -46.06 91.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.582 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.04 -39.5 90.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.82 0.343 . . . . 0.0 111.256 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.496 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.75 -45.22 68.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' HG ' F22C ' A' ' 201' ' ' 7BU . 9.3 tt -61.72 -45.37 94.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.19 -40.65 94.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.14 -41.13 82.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.533 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 97' ' ' ALA . 97.1 mt -61.93 -46.8 95.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.07 -40.34 89.18 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.516 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.68 -42.97 98.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.46 -44.14 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.957 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.45 62.79 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -175.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -82.61 -24.61 33.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.736 0.303 . . . . 0.0 110.525 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -72.99 -65.31 0.82 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.199 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -52.22 106.01 0.14 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.433 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--N 1.312 -1.037 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.852 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.704 ' C3A' F23B ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 120.608 0.242 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -133.23 -62.07 0.8 Allowed 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.569 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 66.6 t80 -65.28 -40.95 94.56 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.734 0.302 . . . . 0.0 111.752 -176.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -60.99 -53.42 57.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.112 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.55 -26.01 68.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 3' ' ' PHE . 49.6 tp -64.55 -54.44 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.857 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.6 ' HA ' F22D ' A' ' 201' ' ' 7BU . 37.1 ttt180 -63.91 -39.73 94.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.733 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.695 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 63.3 mm-40 -60.03 -46.39 89.67 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.942 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -65.66 -29.0 69.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 111.486 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -71.43 -51.76 15.61 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 24.1 m-20 -58.5 -42.43 87.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.197 . . . . 0.0 111.393 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 59.3 mm-40 -61.55 -40.43 94.68 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.989 0.423 . . . . 0.0 109.96 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.18 -43.48 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.648 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 10' ' ' GLY . 81.3 t -60.17 -43.27 92.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.377 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 73.7 mt-30 -58.11 -45.66 86.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.343 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.17 93.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.848 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.25 -41.53 99.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.62 -32.93 73.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -70.4 -35.52 73.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.8 -45.88 90.94 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.307 -177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.545 ' HG2' ' OD2' ' A' ' 25' ' ' ASP . 60.1 ttt180 -66.59 -39.47 88.43 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 119.831 -0.747 . . . . 0.0 111.83 -178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.2 -50.86 71.42 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -55.66 -36.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -67.91 -47.44 68.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.788 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.545 ' OD2' ' HG2' ' A' ' 21' ' ' ARG . 63.6 m-20 -62.82 -22.1 66.39 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.44 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -93.69 -1.66 54.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.017 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.32 27.96 58.54 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 113.938 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.54 81.06 3.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.616 0.722 . . . . 0.0 111.569 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.83 -26.79 59.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.726 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 13.2 m-20 -64.68 -49.56 70.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.723 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 t -75.63 -31.59 59.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.87 0.367 . . . . 0.0 110.421 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.5 tp -60.03 -46.64 88.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.611 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 15.6 pt-20 -60.21 -40.25 89.46 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.023 0.439 . . . . 0.0 110.802 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -65.45 -40.98 93.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.439 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 39' ' ' ILE . 65.7 t -67.79 -33.73 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.97 -37.4 79.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.383 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.3 -37.04 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.924 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 28.7 mm-40 -66.82 -45.32 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.023 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 43' ' ' ILE . 68.7 mt -61.79 -48.32 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.6 mt-10 -60.98 -36.72 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.671 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.81 -39.09 87.6 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.984 0.421 . . . . 0.0 110.658 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 99.2 mt -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.355 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.9 mt -61.57 -44.58 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.265 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 13.8 mm100 -62.56 -47.17 85.04 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.214 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.0 -35.19 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.211 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -75.94 -43.72 43.5 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.044 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -65.83 -36.29 83.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.771 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 15.1 mm100 -58.36 -30.65 66.92 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 61.6 mt -70.63 -29.65 66.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.079 0.466 . . . . 0.0 110.254 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.45 -29.84 52.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -65.46 -25.97 67.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 49' ' ' LEU . 86.2 m-20 -71.37 -67.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.631 174.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -98.89 103.51 15.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.788 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -70.11 158.13 36.31 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 67.41 -53.34 0.48 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.652 0.781 . . . . 0.0 112.597 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.86 34.22 21.73 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.154 0.582 . . . . 0.0 112.016 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 72.81 -31.34 0.22 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.901 0.88 . . . . 0.0 112.559 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -129.15 113.01 14.55 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.9 m -85.69 -23.68 27.31 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.924 0.392 . . . . 0.0 110.8 -177.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.87 -42.09 73.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.007 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.8 -37.67 76.37 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.332 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 88.2 tttt -70.06 -39.18 75.83 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.096 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -65.65 -39.89 91.88 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.49 -34.69 90.18 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.997 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.69 -40.52 97.38 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.139 0.495 . . . . 0.0 109.723 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.644 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 mm-40 -65.34 -42.11 93.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.261 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.38 -38.22 83.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.093 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 65' ' ' GLY . 92.9 t -67.17 -37.9 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.592 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.12 -43.18 78.97 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.476 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 69.8 mt -60.99 -40.14 92.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.716 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.78 -38.33 86.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.79 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 56.1 mt-30 -66.36 -35.88 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.022 0.439 . . . . 0.0 110.131 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.44 -38.17 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.597 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.83 -49.22 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.36 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' HD13 ' A' ' 36' ' ' LEU . 28.0 ttt180 -65.98 -35.88 81.78 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.085 177.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.54 -37.19 82.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.34 88.15 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.898 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.1 -42.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 120.612 0.244 . . . . 0.0 110.904 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -64.0 -35.86 82.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.1 3.14 52.8 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.437 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.25 13.36 70.29 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 121.104 -0.57 . . . . 0.0 114.146 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -80.67 96.36 6.87 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.052 0.453 . . . . 0.0 110.419 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -74.58 -34.84 62.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.03 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.27 -48.4 78.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.875 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -65.91 -29.63 70.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.898 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.8 mt -59.34 -47.46 85.32 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.454 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.22 -46.37 85.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 111.401 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.59 -45.42 75.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.52 -33.46 74.17 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 21' ' ' ARG . 54.6 tp -62.85 -44.79 95.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.11 -38.6 91.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.36 -38.39 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.988 0.423 . . . . 0.0 110.124 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.64 -43.58 98.58 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 11.5 tp10 -60.53 -45.05 95.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.925 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.68 -42.89 97.96 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 111.206 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.77 -39.08 73.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.036 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.589 ' HG ' F22C ' A' ' 201' ' ' 7BU . 10.0 tt -61.77 -47.06 86.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.857 0.36 . . . . 0.0 110.286 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 84.6 mm-40 -62.51 -32.92 73.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.504 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -70.73 -43.06 69.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.203 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.549 HD12 F21C ' A' ' 201' ' ' 7BU . 93.3 mt -60.63 -44.64 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.469 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.23 -44.07 83.47 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.223 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.0 -47.18 78.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.453 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.45 -42.68 82.7 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.87 -29.19 62.99 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -95.79 -21.35 18.18 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.499 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm 59.43 -84.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.499 0.72 . . . . 0.0 112.647 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -114.35 173.14 6.6 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.1 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.6 m120 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.028 -0.987 . . . . 0.0 111.779 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.72 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.52 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 22.4 t . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.936 0.398 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.9 mp0 -52.03 -59.16 4.67 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.389 0.676 . . . . 0.0 111.89 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -62.08 -25.85 67.93 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.52 ' OE1' ' HA ' ' A' ' 1' ' ' SER . 41.5 mt-10 -73.07 -37.04 66.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.125 0.488 . . . . 0.0 109.818 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.88 -25.76 62.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.315 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.98 -45.51 20.16 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.595 ' HA ' F22D ' A' ' 201' ' ' 7BU . 25.8 ttm-85 -67.18 -40.59 86.57 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.641 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.08 -47.4 84.85 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.928 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 46' ' ' HIS . 18.5 p -65.5 -21.08 66.59 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.019 0.438 . . . . 0.0 111.456 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.04 -48.72 8.14 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -56.42 -41.46 76.43 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 122.595 0.358 . . . . 0.0 110.417 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.71 -47.5 85.98 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.333 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.72 -45.77 92.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.67 -48.36 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.198 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.81 -38.76 79.33 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 111.639 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.32 72.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.839 0.352 . . . . 0.0 110.74 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -67.23 -43.45 81.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.52 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.17 -38.33 90.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 109.935 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -69.35 -34.91 75.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.267 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.12 -41.15 92.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.179 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HG3' HD21 ' A' ' 91' ' ' LEU . 67.8 ttt180 -68.34 -40.18 81.65 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.32 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 32.5 mm-40 -60.82 -50.7 72.39 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 HG21 ' A' ' 35' ' ' VAL . 83.5 mt -58.91 -33.91 51.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.09 175.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.28 -47.69 67.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.618 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.5 -23.66 66.95 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.767 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 68.9 mttm -83.42 -4.75 58.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.33 28.17 64.15 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 114.34 0.496 . . . . 0.0 114.34 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.04 85.09 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.477 0.639 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -56.1 -30.96 62.8 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.649 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -66.25 -49.93 65.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.3 t -73.77 -35.27 64.95 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.16 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.83 -43.44 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.958 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.45 -43.8 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.19 -37.1 83.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.483 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.1 t -70.24 -34.25 57.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.459 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 94.3 mt -60.63 -36.53 78.86 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.17 -41.99 96.89 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.259 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.1 mm-40 -64.09 -44.68 91.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 35' ' ' VAL . 38.7 mm -61.97 -49.27 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.098 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 44.7 mt-10 -57.81 -41.24 81.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.879 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -41.12 75.66 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.097 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.4 mt -65.11 -35.75 82.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.773 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.9 mt -62.48 -46.73 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.639 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 71.5 mm-40 -62.78 -46.39 88.22 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.616 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.121 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.416 ' HB2' ' HB ' ' A' ' 9' ' ' THR . 83.4 t60 -76.84 -42.48 40.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 8.0 tmm_? -65.68 -35.82 81.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.203 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 99.3 mt-30 -58.14 -34.73 70.58 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.096 0.474 . . . . 0.0 111.379 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.47 -32.72 73.76 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.26 0.552 . . . . 0.0 110.061 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 54' ' ' GLN . 78.5 t80 -74.49 -30.53 61.87 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.38 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 48' ' ' GLN . 38.4 m-20 -65.04 -37.69 88.41 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.221 0.534 . . . . 0.0 110.075 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -77.16 -83.66 0.07 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.829 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 59.6 ttt180 -97.53 -15.83 20.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 97.2 mt-30 72.75 -68.87 0.21 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.8 0.44 . . . . 0.0 112.132 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 50.59 49.5 20.71 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.666 -175.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 109.73 2.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.22 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.488 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -74.42 -20.57 59.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.428 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -165.72 139.97 4.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.569 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -72.66 -35.48 67.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 32.9 tt0 -69.9 -33.74 72.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.072 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.12 99.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -38.45 88.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.08 97.49 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.554 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.3 mt-30 -67.41 -35.3 79.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -60.78 -47.36 91.61 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.862 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.24 -43.3 92.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.022 0.439 . . . . 0.0 110.53 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.73 -42.9 99.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.633 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.94 -39.38 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 92.2 t -65.75 -43.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.805 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 50.2 mt-30 -63.5 -42.75 98.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.85 -39.75 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.38 -39.04 85.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 97.0 mt-30 -59.71 -44.68 93.61 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -63.88 -39.18 93.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.077 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.99 -48.88 72.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 76' ' ' ARG . 5.1 tpt180 -61.09 -46.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.899 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.8 tt0 -61.02 -35.76 77.72 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.58 69.05 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.851 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.3 mt -73.4 -38.87 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -66.43 -35.51 80.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 34.8 mmtp -85.12 -5.25 59.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.672 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.22 25.32 74.63 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.196 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.62 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -90.29 98.74 11.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.901 0.382 . . . . 0.0 110.408 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -74.91 -25.7 59.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.319 -176.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.53 -49.63 74.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 m -67.12 -33.3 75.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.023 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 90.2 mt -61.95 -48.4 80.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.18 -48.07 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.751 0.31 . . . . 0.0 111.828 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.07 -43.99 73.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.89 -35.59 78.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.407 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 21' ' ' ARG . 51.1 tp -61.61 -45.15 95.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 110.621 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.09 -38.74 86.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.5 -36.21 76.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.134 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.12 -44.53 95.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.196 0.522 . . . . 0.0 109.942 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 5.2 tm-20 -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.191 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tp60 -69.86 -38.55 76.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.133 0.492 . . . . 0.0 110.598 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.43 -32.24 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.216 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.494 ' HG ' F22C ' A' ' 201' ' ' 7BU . 10.2 tt -68.64 -39.51 80.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.9 mm-40 -63.0 -30.13 71.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.274 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 99.3 mttt -71.92 -44.21 64.04 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 110.471 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.5 HD12 F21C ' A' ' 201' ' ' 7BU . 84.0 mt -67.72 -44.98 85.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.412 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -59.26 -38.15 79.35 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.251 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.44 -46.3 90.54 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.347 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 68.9 mt -67.43 -38.29 84.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.787 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.82 -28.19 62.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.008 0.432 . . . . 0.0 111.304 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -90.38 -17.98 26.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.745 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -84.27 -23.2 30.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.32 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 104' ' ' LEU . 19.7 ptmt -131.25 138.1 49.17 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.681 -0.637 . . . . 0.0 110.094 -175.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 . . . . . 0 C--O 1.253 1.262 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.739 -179.299 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.714 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 1.6 mp0 -46.67 127.49 9.63 Favored 'General case' 0 C--O 1.243 0.722 0 O-C-N 123.64 0.587 . . . . 0.0 111.93 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -67.53 -19.22 65.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.003 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 42.2 mt-10 -66.55 -48.51 69.43 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.629 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.23 -47.42 76.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.42 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -47.75 -45.38 29.0 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.515 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.57 ' HA ' F22D ' A' ' 201' ' ' 7BU . 65.3 mtt180 -67.24 -44.57 79.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.703 0.287 . . . . 0.0 111.361 177.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 98.7 mt-30 -64.35 -30.21 71.26 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -83.25 -17.94 40.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -79.88 -41.35 12.66 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.22 -40.49 81.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.493 -0.354 . . . . 0.0 110.739 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 11.5 mm-40 -63.4 -46.94 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.349 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD23 F23C ' A' ' 201' ' ' 7BU . 44.8 tp -61.26 -42.61 98.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.054 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.97 -46.48 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.578 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -58.01 -45.34 87.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.589 178.625 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.28 -36.22 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.527 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 83.4 t80 -64.49 -39.03 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.093 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.243 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 34.6 mmt180 -64.31 -34.14 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.831 177.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 35.8 tp -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.015 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 4.8 mmm180 -66.0 -44.97 83.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.04 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.09 -53.54 56.54 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 28' ' ' ASP . 90.4 mt -61.34 -37.36 77.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.395 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -70.26 -48.33 57.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.892 0.377 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -62.06 -24.96 67.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.183 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -91.36 4.48 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.389 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.26 28.61 61.89 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 114.648 0.619 . . . . 0.0 114.648 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 23' ' ' ILE . 16.6 t0 -87.43 82.23 7.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.602 0.701 . . . . 0.0 110.185 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.84 -34.29 65.28 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.57 -48.39 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.69 0.281 . . . . 0.0 111.597 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -74.03 -31.32 62.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.037 0.446 . . . . 0.0 110.23 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.6 tp -60.63 -42.49 97.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.049 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.99 -40.97 86.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.071 0.462 . . . . 0.0 110.472 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.63 -45.07 95.42 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.116 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.2 t -68.03 -36.9 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.577 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.4 mt -60.03 -40.61 89.94 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 110.633 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -66.58 -38.52 87.24 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.443 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.0 tt0 -67.33 -39.32 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.185 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.8 mm -59.17 -47.41 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 44.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.343 178.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.45 -36.53 73.99 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 90.8 mt -68.09 -36.36 79.66 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.221 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -60.7 -42.49 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.652 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 94.1 mt-30 -62.99 -47.6 82.46 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -64.01 -35.21 79.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 111.753 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.73 -44.21 34.22 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.413 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -70.54 -39.95 73.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 73.9 mm-40 -59.87 -32.39 70.67 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.6 -30.29 71.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.347 0.594 . . . . 0.0 110.133 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 83.3 t80 -78.93 -33.98 44.96 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.33 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -80.69 -39.3 27.42 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -53.28 -59.56 4.41 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.947 -178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -161.98 161.66 28.65 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.208 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 59.03 69.22 0.74 Allowed 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.635 0.584 . . . . 0.0 111.516 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 50' ' ' PHE . 44.4 mt-10 -85.06 31.42 0.55 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.49 103.87 16.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.719 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.97 -173.43 4.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -81.35 147.52 29.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.409 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.2 m -77.68 -43.32 31.62 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.655 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.93 -37.89 76.05 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.61 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.83 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.46 -45.23 94.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.77 -30.14 70.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.423 . . . . 0.0 110.456 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.48 -48.4 68.87 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.0 -39.93 95.23 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -38.84 90.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.005 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -64.34 -39.25 93.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.028 0.442 . . . . 0.0 110.103 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' GLY . 86.9 t -67.88 -38.95 80.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.091 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.23 -43.8 90.29 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.638 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -39.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.537 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.9 -42.09 98.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.32 -38.31 86.39 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.142 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -70.22 -41.25 73.84 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -61.46 -49.04 78.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.93 95.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.506 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.62 -34.52 78.02 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.086 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 -32.51 74.15 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.615 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -71.71 -36.41 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -67.32 -36.8 82.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.563 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.25 -5.86 59.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.342 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.69 27.53 73.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.879 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -91.25 96.83 10.77 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 109.988 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.37 -29.77 62.85 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.375 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.33 -50.08 74.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.26 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.6 p -68.86 -30.4 68.91 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.3 mt -59.77 -48.83 80.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -176.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -45.91 89.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -67.23 -45.95 75.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.785 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.17 -36.82 77.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.712 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.31 -45.01 95.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.454 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 51.0 mm-40 -62.27 -40.53 96.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 110.059 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.87 -38.41 91.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.36 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.78 -46.17 91.54 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.8 -43.43 98.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.587 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 75.5 mm-40 -68.11 -40.59 82.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -177.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.07 -39.69 75.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.233 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.664 ' HG ' F22C ' A' ' 201' ' ' 7BU . 4.6 tt -61.7 -46.64 88.81 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.12 0.486 . . . . 0.0 110.04 178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.82 -33.49 74.23 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.483 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.5 mmtt -71.94 -41.4 67.86 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.558 HD12 F21C ' A' ' 201' ' ' 7BU . 88.5 mt -60.53 -45.16 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.647 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 102' ' ' ARG . 19.4 ttt180 -65.17 -30.99 71.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -73.32 -30.23 63.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.08 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 84.8 mt -74.37 -25.86 59.76 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.25 0.547 . . . . 0.0 109.619 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.67 -15.62 61.6 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.979 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -103.18 5.61 37.85 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.7 tptm 53.98 -79.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 126.357 1.863 . . . . 0.0 114.016 -175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 77.0 tttt 66.77 84.82 0.15 Allowed 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 C--N 1.319 -0.727 0 CA-C-O 118.568 -0.73 . . . . 0.0 109.666 -178.296 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.715 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.514 -0.412 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 58.79 77.16 0.31 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 123.848 0.717 . . . . 0.0 110.176 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.449 ' HA ' ' CD2' ' A' ' 6' ' ' LEU . 50.3 p90 -58.3 -33.0 68.98 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.423 -175.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.33 -47.81 84.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.091 0.472 . . . . 0.0 110.479 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.16 -50.87 43.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.378 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 3' ' ' PHE . 4.0 pp -53.65 -42.53 67.95 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 120.201 -0.599 . . . . 0.0 112.078 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.631 ' HA ' F22D ' A' ' 201' ' ' 7BU . 23.1 mmm180 -62.66 -46.31 88.8 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.991 0.424 . . . . 0.0 110.58 174.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 55.5 tp60 -61.14 -47.68 85.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.578 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -65.41 -26.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.859 0.361 . . . . 0.0 111.386 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -73.28 -52.23 8.99 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.26 -39.74 83.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.55 0.214 . . . . 0.0 111.353 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.5 mt-10 -62.14 -42.21 99.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 110.082 176.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.596 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' GLY . 73.3 t -60.55 -46.33 95.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 110.185 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 72.9 mm-40 -57.82 -46.8 84.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.211 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.73 81.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.755 0.312 . . . . 0.0 111.04 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.29 -40.05 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 0.0 109.882 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -61.88 -41.87 98.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.732 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 16.5 mmt180 -66.63 -34.84 78.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.205 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.39 -39.4 93.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.977 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HD2' HD21 ' A' ' 91' ' ' LEU . 5.4 tpt180 -63.99 -43.26 96.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.355 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 36.2 mt-10 -60.94 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.126 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 19' ' ' ARG . 50.9 mm -56.91 -36.3 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -68.0 -47.54 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.774 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.77 -25.31 66.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 64.7 mttm -91.42 0.42 57.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.22 28.94 55.5 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 116.329 -0.396 . . . . 0.0 113.955 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -90.47 87.24 6.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 117.392 0.596 . . . . 0.0 110.885 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.39 -31.75 62.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.399 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.29 -49.5 60.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.975 0.417 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -75.09 -32.66 61.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.054 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 27.1 tp -60.5 -42.07 95.59 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.822 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.3 -40.19 81.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.736 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.86 -44.71 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.2 -35.16 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.294 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 9.6 tp -61.57 -36.91 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.898 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.4 -40.24 81.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 6.3 tp10 -63.18 -42.71 99.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.527 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.54 ' O ' HG12 ' A' ' 43' ' ' ILE . 63.5 mt -65.44 -46.96 88.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.645 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.12 -42.38 80.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.694 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.61 -34.31 75.54 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.055 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 79.4 mt -65.26 -34.29 78.01 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 39' ' ' ILE . 46.5 mm -60.48 -46.62 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.779 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -62.97 -43.02 99.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.51 -36.01 82.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.338 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.07 -43.4 29.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 109.637 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HD2' F23B ' A' ' 201' ' ' 7BU . 7.4 tpt180 -60.33 -43.82 96.06 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.016 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -58.2 -43.53 87.65 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.4 mt -63.48 -28.51 70.01 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.846 0.355 . . . . 0.0 111.67 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -78.56 -36.78 44.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -78.92 -26.83 43.69 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -175.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -46.4 -52.65 12.55 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 3.3 mmp_? -145.21 -12.43 0.54 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -176.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 66.3 155.97 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.097 0.475 . . . . 0.0 110.743 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -145.82 28.91 1.13 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.282 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 64.68 -81.84 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.537 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 60.6 -81.9 0.02 OUTLIER 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.839 0.855 . . . . 0.0 112.172 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -169.79 135.15 1.43 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -74.09 -43.13 58.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -61.78 -40.21 94.4 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.973 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.38 96.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.43 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.6 94.44 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 27.7 mtpp -62.0 -44.11 97.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.22 -30.69 71.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.199 0.523 . . . . 0.0 109.812 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.53 -47.78 83.97 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.775 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -62.96 -39.15 93.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.773 0.32 . . . . 0.0 110.73 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 97.5 mt-30 -61.85 -43.61 98.5 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.629 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -65.04 -38.1 89.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.162 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.1 -42.48 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 64.6 tt0 -66.02 -43.64 87.02 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.116 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.424 HD13 ' HG3' ' A' ' 93' ' ' GLU . 57.9 mt -62.85 -41.28 99.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.555 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.14 -38.47 88.21 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 5.5 tp-100 -62.35 -44.11 97.24 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.626 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 29.5 mmm180 -63.86 -39.01 93.21 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.223 0.535 . . . . 0.0 109.988 176.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.27 -47.42 86.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.37 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -60.28 -44.15 95.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.677 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 39.1 mt-10 -62.29 -34.12 75.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.008 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.79 92.74 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.067 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.4 -35.63 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.934 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.01 -37.23 84.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.066 0.46 . . . . 0.0 109.807 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.72 -0.64 57.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.899 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.58 16.7 65.83 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.354 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -89.95 75.98 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.405 0.621 . . . . 0.0 111.733 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 87' ' ' LEU . 99.9 mttt -57.34 -22.93 45.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.709 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.09 -44.43 96.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.033 0.444 . . . . 0.0 110.01 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 m -69.92 -31.59 69.44 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.29 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 84' ' ' LYS . 73.9 mt -60.29 -42.39 95.36 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.955 -177.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.65 -47.44 84.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -70.23 -45.89 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.469 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 98.8 mt -65.92 -34.67 78.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.311 -178.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.484 HD21 ' HD2' ' A' ' 21' ' ' ARG . 26.6 tp -69.67 -38.74 77.17 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 32.8 tt0 -62.12 -44.45 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' HG3' HD13 ' A' ' 71' ' ' LEU . 14.1 tp10 -63.61 -38.99 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.901 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 72.8 mt -63.96 -44.46 92.73 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 51.4 mt-10 -60.64 -45.32 94.53 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.992 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 47.5 mt-30 -67.92 -38.54 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.0 111.123 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.32 -40.94 77.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.089 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.8 tt -61.0 -42.5 98.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.18 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.3 mm-40 -61.77 -37.8 85.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.269 178.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.91 -44.82 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.534 HD12 F21C ' A' ' 201' ' ' 7BU . 89.4 mt -61.36 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.345 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.68 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 3.2 mtp180 -58.68 -42.49 88.62 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.429 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -42.6 93.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.875 0.369 . . . . 0.0 111.025 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.68 -34.82 67.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.367 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.52 67.98 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.904 0.383 . . . . 0.0 111.237 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 42.3 mm-40 -68.22 -19.3 64.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.741 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 53.7 mtmt 70.46 -31.51 0.22 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.991 0.916 . . . . 0.0 113.387 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 106' ' ' GLU . 40.7 ttmt 173.99 -42.48 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.224 0.535 . . . . 0.0 109.6 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.056 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.719 F21D ' C3C' ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 41.0 m . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 120.51 0.195 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -79.84 -50.02 11.12 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.26 -27.63 69.48 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.659 0.742 . . . . 0.0 109.406 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 36.5 tt0 -55.94 -39.03 71.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.689 -1.142 . . . . 0.0 110.724 175.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -66.18 -41.66 89.99 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.74 -54.08 32.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.834 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.594 ' HA ' F22D ' A' ' 201' ' ' 7BU . 26.9 ptt180 -64.57 -39.07 93.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.45 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -59.97 -45.78 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.91 -23.97 66.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.993 0.425 . . . . 0.0 111.245 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.43 -53.08 9.11 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.42 -33.85 71.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.92 -46.38 89.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.463 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.96 -41.11 95.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.587 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.3 t -63.35 -47.42 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.38 -44.96 84.89 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.5 81.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.559 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 71.7 t80 -69.4 -39.66 77.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.181 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.8 mt-30 -65.24 -34.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.355 0.598 . . . . 0.0 109.415 178.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -69.4 -35.7 76.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.295 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HB2' HD11 ' A' ' 39' ' ' ILE . 44.3 tp -61.67 -36.08 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.452 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HD2' HD21 ' A' ' 91' ' ' LEU . 6.9 tpt180 -60.81 -47.19 87.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.232 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.03 -52.11 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.931 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 ' OG ' ' A' ' 31' ' ' SER . 49.1 mm -56.12 -39.03 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.17 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -69.63 -48.0 61.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.781 0.324 . . . . 0.0 110.65 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.15 -21.3 64.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.488 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -80.68 -4.94 56.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.486 0.184 . . . . 0.0 111.134 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.69 26.04 52.52 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.569 -0.348 . . . . 0.0 113.764 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 9.3 t0 -93.58 86.24 5.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.432 0.616 . . . . 0.0 110.607 -178.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' HA ' HD12 ' A' ' 32' ' ' LEU . 36.2 m-20 -58.43 -29.75 66.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.221 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -71.0 -42.53 69.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.903 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 28' ' ' ASP . 94.0 p -73.25 -30.67 63.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.583 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 29' ' ' ASP . 20.8 mt -61.47 -40.64 95.26 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.772 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 12.3 tp10 -59.93 -41.53 92.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.655 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -70.41 -40.92 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.167 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.4 -37.87 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.423 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 49.8 mt -61.97 -34.81 76.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.173 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 51.9 mt-10 -66.99 -38.54 86.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.236 0.541 . . . . 0.0 109.731 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 17.0 tp10 -65.04 -44.71 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.576 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 20' ' ' LEU . 71.0 mt -65.83 -48.28 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.327 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.26 -37.9 75.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.93 -35.43 76.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.874 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 85.5 mt -67.66 -36.04 79.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.734 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.4 mt -61.25 -43.97 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.87 -44.49 76.96 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.247 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.94 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 0.0 111.187 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -74.88 -44.13 50.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -71.41 -30.19 65.79 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.48 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.45 -37.74 76.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.23 0.538 . . . . 0.0 110.188 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.38 -37.47 71.59 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.968 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -69.65 -30.07 67.68 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -69.12 -28.33 66.37 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 110.041 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -80.11 39.02 0.43 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.668 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 70.49 -80.17 0.04 OUTLIER 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.964 0.906 . . . . 0.0 112.069 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 57.33 -155.88 0.32 Allowed 'General case' 0 C--O 1.239 0.512 0 O-C-N 123.459 0.474 . . . . 0.0 110.594 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -92.01 155.65 17.97 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.81 91.21 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 123.19 0.306 . . . . 0.0 110.835 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.92 -71.7 0.08 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.915 0.886 . . . . 0.0 112.191 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -162.23 134.48 5.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.187 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 m -71.71 -45.46 61.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.032 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.2 -33.07 71.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.075 0.464 . . . . 0.0 111.08 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.45 99.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.59 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.48 -44.23 94.98 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -63.51 -38.48 91.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.216 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.08 -41.97 99.64 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.888 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 3.5 m-20 -62.14 -41.0 97.83 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.293 0.547 . . . . 0.0 110.938 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.169 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.79 -38.77 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.124 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -66.27 -41.33 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.032 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 13.1 mm100 -66.44 -41.72 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.211 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.67 -39.37 94.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.52 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.417 ' N ' HD21 ' A' ' 94' ' ' LEU . 72.4 t80 -66.92 -38.6 86.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.524 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 97.7 mt-30 -64.32 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.8 mtt180 -63.66 -37.42 87.26 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -45.41 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.498 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -63.68 -41.88 98.1 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.53 -38.19 89.02 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.413 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.03 83.97 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.31 -44.45 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.76 0.314 . . . . 0.0 111.141 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.91 -36.8 83.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -86.61 -1.74 57.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.809 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 25.54 73.3 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.917 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.9 t70 -92.72 95.56 9.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.098 0.475 . . . . 0.0 109.773 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' A' ' 87' ' ' LEU . 36.8 mtmm -74.75 -32.49 62.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.898 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.22 -41.22 92.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.935 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.8 m -72.33 -30.33 64.65 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.1 mt -59.68 -47.77 84.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.87 -46.73 84.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 38.8 tt0 -68.67 -47.56 66.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.738 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.31 -36.56 84.1 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.583 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.495 HD21 ' HD2' ' A' ' 21' ' ' ARG . 42.7 tp -67.79 -41.49 83.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.974 0.416 . . . . 0.0 109.95 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.43 -40.06 85.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.482 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' GLN . 42.9 mt-10 -67.04 -37.08 83.46 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.873 0.368 . . . . 0.0 110.102 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 72' ' ' PHE . 29.9 mt -63.8 -45.82 87.93 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.801 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.85 -43.78 98.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.474 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 tp60 -69.06 -37.33 78.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.83 83.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 109.666 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.637 ' HG ' F22C ' A' ' 201' ' ' 7BU . 5.9 tt -62.15 -44.07 97.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.638 177.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.0 -31.1 71.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.444 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 96.9 mttt -72.2 -42.97 65.2 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.521 HD12 F21C ' A' ' 201' ' ' 7BU . 91.3 mt -61.56 -47.56 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -60.91 -38.49 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.782 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.17 -46.37 90.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.85 -36.93 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.774 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.19 -35.88 63.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -90.61 -21.74 21.57 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.286 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.9 mttm 46.86 -91.26 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -138.9 29.0 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.111 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.671 -178.215 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.723 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.683 0.278 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.594 ' OE2' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -90.03 -32.9 16.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.34 -178.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -54.91 -33.95 62.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.387 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 32.1 mt-10 -59.03 -54.98 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.065 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -68.26 -39.5 82.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.999 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -49.92 -52.47 33.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.55 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HA ' F22D ' A' ' 201' ' ' 7BU . 98.8 mtt180 -62.97 -44.66 95.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.357 176.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 77.4 mt-30 -60.36 -46.29 90.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.898 -178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -65.75 -23.43 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -73.11 -48.69 18.94 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 176.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.9 m-20 -58.78 -43.44 90.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.587 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.25 -44.41 97.29 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.8 tp -61.16 -41.49 96.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.703 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 71.7 t -63.22 -42.93 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.721 0.296 . . . . 0.0 110.257 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -58.05 -42.74 86.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.05 -35.96 77.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.587 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 74.0 t80 -63.91 -38.25 90.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.736 177.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 97.1 mt-30 -63.4 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.59 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 90.5 mtt180 -62.88 -36.41 83.2 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 57.9 tp -59.61 -40.42 87.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.47 -177.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.3 mmm180 -66.27 -48.96 68.76 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.195 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.15 -31.26 72.0 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.401 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.728 HG23 ' HB3' ' A' ' 28' ' ' ASP . 93.0 mt -79.62 -40.48 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.592 0.71 . . . . 0.0 109.918 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.75 -47.9 50.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.622 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -62.36 -27.54 69.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.479 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.03 2.38 55.27 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.9 29.5 74.36 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.507 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.728 ' HB3' HG23 ' A' ' 23' ' ' ILE . 14.9 t0 -80.27 102.23 9.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.241 0.543 . . . . 0.0 110.408 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -73.9 -43.34 58.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.372 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.25 -47.97 77.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.92 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 t -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.931 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.1 tp -60.25 -48.22 82.68 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.575 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.94 -46.06 88.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.704 0.288 . . . . 0.0 111.211 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -62.0 -45.83 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 23' ' ' ILE . 58.6 t -67.92 -33.81 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.002 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.3 mt -60.05 -35.79 75.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.62 -38.15 86.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.212 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.2 mt-10 -69.09 -42.1 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.358 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 43' ' ' ILE . 79.6 mt -61.45 -49.02 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.172 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -59.29 -37.61 78.12 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 178.139 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.92 -38.97 92.75 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 94.8 mt -69.21 -35.78 76.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.7 mt -62.7 -41.67 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 78.4 mt-30 -62.35 -45.27 93.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.342 176.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -61.24 -37.4 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.73 -40.64 47.9 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' NE ' HG22 ' A' ' 43' ' ' ILE . 75.9 mtm180 -66.42 -44.14 83.74 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.933 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -58.42 -40.69 83.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.584 -174.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.75 -37.62 82.37 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.092 0.472 . . . . 0.0 110.282 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -73.76 -29.5 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.251 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.02 -30.46 55.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.591 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.51 -70.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.484 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' OE2' ' A' ' 2' ' ' GLU . 30.3 ttm180 -125.21 170.28 11.41 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' H ' ' HG2' ' A' ' 53' ' ' ARG . 84.9 mm-40 75.8 153.12 0.14 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.906 0.86 . . . . 0.0 112.516 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -123.09 174.2 7.38 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.97 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.23 95.01 4.87 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.823 0.344 . . . . 0.0 110.737 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.2 95.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.661 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -116.13 129.54 56.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.898 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.0 m -75.6 -39.16 58.4 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.009 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 8.3 tp10 -63.01 -46.61 86.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.641 0.258 . . . . 0.0 110.627 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.22 91.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.295 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.405 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.11 -45.08 93.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.196 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 84.5 mm-40 -65.15 -33.1 75.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.91 -49.18 60.3 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.465 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 9.5 m-20 -62.17 -38.93 90.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 176.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -62.21 -42.06 98.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.337 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -62.26 -39.65 93.61 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.946 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 65' ' ' GLY . 87.4 t -66.71 -41.76 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.387 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 85.1 mm-40 -67.6 -38.56 84.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -40.15 94.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.452 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.8 -40.62 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.189 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.35 -41.1 98.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.28 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.36 -41.41 93.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.953 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.48 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.473 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -41.59 92.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.87 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.36 -33.04 70.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.96 74.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.373 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.89 -35.32 71.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -67.82 -32.05 72.33 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.022 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.22 -5.01 59.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.01 22.35 75.83 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.29 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -91.12 98.29 11.67 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.05 0.452 . . . . 0.0 110.799 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -73.47 -28.92 62.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.566 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.79 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.668 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.4 m -67.07 -31.09 71.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.616 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 75.3 mt -60.18 -48.19 82.75 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.34 -45.9 91.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -68.22 -45.91 71.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.974 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.8 mt -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.102 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.3 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.93 -39.93 90.94 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.014 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.0 -35.67 81.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.872 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.6 -40.82 93.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.9 tm-20 -64.12 -43.44 95.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -68.46 -39.62 81.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 111.244 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.77 -42.75 73.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.043 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 10.1 tt -61.37 -41.62 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.253 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 79.2 mm-40 -60.84 -37.83 83.4 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.316 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 mtmm -69.53 -42.12 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.754 0.311 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.505 HD12 F21C ' A' ' 201' ' ' 7BU . 92.5 mt -63.86 -47.6 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.423 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -62.22 -40.55 96.49 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.83 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt-10 -60.74 -36.2 78.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.017 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 97.7 mt -69.47 -39.54 77.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 110.56 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.48 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 0.0 110.983 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -84.83 -13.6 50.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.099 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.7 tptp 68.07 9.1 6.96 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.241 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 73.1 tttt 40.79 85.82 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.395 1.078 . . . . 0.0 112.165 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.312 -1.045 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.965 -177.751 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.68 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.751 0.31 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -53.35 39.43 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.677 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -67.45 -24.56 65.63 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.342 0.591 . . . . 0.0 110.074 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.48 -48.84 71.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.606 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -67.56 -44.44 78.26 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 tp -49.96 -53.49 25.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.423 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.582 ' HG3' F22D ' A' ' 201' ' ' 7BU . 19.1 ttt180 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 54.5 tt0 -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.203 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.3 p -65.01 -21.46 66.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 111.393 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -74.75 -47.34 15.07 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 3.6 m-20 -54.91 -45.37 74.75 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.87 175.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.3 mm-40 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.267 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.71 -43.88 97.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.892 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 68.7 t -61.6 -45.51 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.542 177.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 56.8 mt-30 -56.58 -45.62 81.26 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.812 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD2' HD13 ' A' ' 98' ' ' LEU . 83.9 t80 -67.5 -40.14 85.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.779 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.2 mt-30 -62.17 -43.1 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.29 0.567 . . . . 0.0 109.621 177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -64.3 -35.97 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.288 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.81 -39.97 93.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -62.89 -48.4 79.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 mm-40 -62.78 -52.28 63.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.879 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 28' ' ' ASP . 93.2 mt -55.75 -36.32 42.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.838 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -69.18 -48.69 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -63.59 -31.39 72.54 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.79 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 57.3 mttm -87.53 3.6 46.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.77 29.45 73.99 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.032 -0.604 . . . . 0.0 114.164 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.638 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.8 t70 -81.44 103.0 10.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.8 m-20 -70.25 -43.32 70.79 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.948 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -68.8 -47.81 65.17 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -70.18 -33.09 71.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.243 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.8 tp -59.67 -47.25 86.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.216 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 50.9 mt-10 -61.05 -46.49 90.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.052 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.98 -45.58 94.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.613 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 39' ' ' ILE . 59.6 t -63.58 -33.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.407 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.87 -38.87 83.41 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 mp0 -68.63 -37.85 80.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.74 -43.31 84.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 67.7 mt -61.57 -46.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.174 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.51 -34.38 69.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.171 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 59.3 mm-40 -69.16 -40.83 77.93 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.985 0.421 . . . . 0.0 110.684 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.62 -36.83 76.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.181 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.3 mt -61.53 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.367 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.33 -45.43 91.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.102 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.24 -33.9 75.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.85 -43.95 43.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 109.73 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 47' ' ' ARG . 21.7 ttt180 -67.67 -33.21 74.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.626 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.89 -31.75 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.874 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.12 -27.95 61.11 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.418 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -76.83 -26.76 54.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.859 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -59.57 -33.93 72.05 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 111.391 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -134.27 132.32 39.48 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 75.67 72.72 0.09 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.79 0.836 . . . . 0.0 109.608 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -85.16 81.85 8.66 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.988 -177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -83.41 135.87 34.53 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.698 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 63.14 31.34 15.79 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.684 0.615 . . . . 0.0 109.813 -176.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.56 154.52 8.57 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.715 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -178.33 147.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.496 -177.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -77.59 -40.38 42.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.963 0.411 . . . . 0.0 110.472 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -67.42 -45.82 74.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.727 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.04 -44.49 97.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.352 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.0 86.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.34 -45.5 92.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.841 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.87 -29.6 65.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.853 0.358 . . . . 0.0 110.393 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.83 -48.4 76.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.71 -36.54 84.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.0 110.946 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.13 -43.63 98.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.06 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -64.76 -38.18 90.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.126 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 65' ' ' GLY . 90.7 t -64.64 -45.55 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.5 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.8 -38.95 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.593 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.414 HD13 ' HG3' ' A' ' 93' ' ' GLU . 85.2 mt -65.01 -42.57 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 177.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.08 -41.95 85.47 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.282 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.32 -44.45 95.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.3 -40.24 89.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.451 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.54 -48.62 78.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.422 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.31 -40.02 96.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.238 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.89 -34.71 79.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.37 0.605 . . . . 0.0 109.746 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.34 69.84 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.5 -35.71 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -68.47 -33.96 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.996 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -82.76 -8.25 59.6 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.775 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.46 25.4 74.85 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.209 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.681 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -92.57 98.5 11.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.981 0.42 . . . . 0.0 110.709 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -73.49 -30.88 63.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.441 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.69 -48.56 80.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.698 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 p -71.28 -31.12 67.09 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.608 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.8 mt -60.41 -48.97 79.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 50.2 mt-10 -60.92 -45.94 92.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.806 0.336 . . . . 0.0 111.335 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -66.51 -43.59 84.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.32 -34.82 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.266 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.9 tp -66.65 -41.82 87.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 47.0 mm-40 -62.26 -40.24 95.54 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 109.957 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' HD13 ' A' ' 71' ' ' LEU . 13.2 tp10 -68.24 -37.04 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.095 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.3 -45.3 93.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.43 -41.37 97.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.002 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.663 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 32.1 tt0 -69.71 -42.4 74.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.459 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.64 84.61 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.642 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.558 ' HG ' F22C ' A' ' 201' ' ' 7BU . 2.9 tt -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -66.91 -29.07 68.85 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.456 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 78.9 mttt -70.33 -44.76 67.54 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.507 HD12 F21C ' A' ' 201' ' ' 7BU . 91.4 mt -63.64 -45.63 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.958 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -58.17 -39.94 80.15 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 45.9 mt-10 -60.98 -46.05 92.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.619 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.22 -38.03 75.15 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.86 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.13 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.633 0.254 . . . . 0.0 111.546 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.62 -8.66 57.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.21 0.529 . . . . 0.0 109.724 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 68.53 12.5 8.72 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.146 -0.933 . . . . 0.0 110.452 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 66.64 -42.62 0.41 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.67 1.188 . . . . 0.0 113.053 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.4 t30 . . . . . 0 C--O 1.247 0.923 0 C-N-CA 123.443 0.697 . . . . 0.0 111.257 179.622 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.747 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.633 0.254 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.45 76.2 3.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.173 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -69.25 -35.85 76.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.668 0.27 . . . . 0.0 111.505 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.6 -47.81 74.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.09 0.472 . . . . 0.0 110.361 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -65.83 -25.06 67.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.18 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.68 -51.86 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' HA ' F22D ' A' ' 201' ' ' 7BU . 9.3 tpt180 -63.25 -43.18 98.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.95 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 23.1 tm0? -60.6 -44.87 95.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.019 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -70.8 -22.87 62.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -72.11 -49.66 20.67 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.05 -40.16 80.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.572 -0.314 . . . . 0.0 111.692 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.4 mm-40 -64.15 -42.52 96.72 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.799 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD12 F23C ' A' ' 201' ' ' 7BU . 3.3 tm? -60.87 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.036 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.7 t -60.98 -42.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.075 178.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.84 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.23 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.39 83.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.979 0.419 . . . . 0.0 110.36 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -67.48 -38.68 84.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.007 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.51 -38.15 80.66 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.924 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' HG13 ' A' ' 23' ' ' ILE . 8.0 tpm_? -69.57 -35.2 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.71 -42.56 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.871 -1.058 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -67.88 -35.62 78.82 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.65 -37.06 79.37 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.488 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' ARG . 77.8 mt -76.04 -36.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.624 0.726 . . . . 0.0 109.696 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.24 -46.32 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.155 -176.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -61.66 -22.84 65.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.451 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -92.01 3.56 54.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.97 28.39 73.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.223 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.7 t70 -86.53 102.22 13.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.293 0.568 . . . . 0.0 110.531 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.05 -42.55 47.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.304 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.77 -47.42 83.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.989 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 t -73.17 -31.33 64.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 49.9 tp -59.35 -48.25 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.29 -47.17 84.48 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.969 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.84 -46.32 91.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.614 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.01 -34.17 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.927 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.7 mt -59.23 -43.81 92.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.136 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -67.46 -34.87 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 mt-10 -69.92 -43.13 72.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 43' ' ' ILE . 62.7 mt -59.78 -47.91 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.951 177.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 45.9 mt-10 -58.51 -37.23 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.94 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 30.4 tt0 -68.94 -35.99 77.43 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.9 mt -69.21 -36.5 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.155 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.6 mt -60.6 -40.83 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.481 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 69.8 mt-30 -63.7 -44.13 94.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.341 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 65.3 mttm -61.61 -37.51 84.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.773 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -77.25 -44.47 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -67.55 -35.26 78.71 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.623 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -58.66 -34.88 71.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.61 -30.97 70.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.197 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -77.09 -31.48 55.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.064 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.76 -28.15 63.44 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.273 0.559 . . . . 0.0 110.058 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -80.13 19.45 0.73 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.694 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -161.21 176.19 11.52 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -119.8 -47.94 2.39 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.494 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 2.6 mp0 -51.7 116.23 2.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.282 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.21 148.16 24.93 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.174 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.49 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -73.63 -14.92 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.898 0.38 . . . . 0.0 110.918 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 15.5 t70 -172.64 139.34 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.9 m -76.53 -46.64 25.62 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -176.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.61 -33.43 71.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.011 0.434 . . . . 0.0 110.972 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 58' ' ' ASP . . . -61.97 -41.43 97.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' HB2' F22A ' A' ' 201' ' ' 7BU . . . -65.53 -42.35 92.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.1 tptm -63.87 -43.91 94.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.02 -38.62 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.105 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -42.17 99.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.064 178.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.34 -44.42 97.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 110.485 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.8 mm-40 -65.49 -36.07 82.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -62.45 -38.94 91.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -66.41 -38.06 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.754 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.8 mt-30 -69.27 -39.44 78.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.95 -39.94 93.82 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.54 -37.7 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.698 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 28.5 mt-30 -62.59 -38.94 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.8 mmt180 -66.17 -37.69 86.25 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.7 -46.62 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.338 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -61.22 -41.21 96.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.147 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 49.3 mt-10 -65.84 -36.5 83.65 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.914 0.388 . . . . 0.0 110.156 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.62 89.39 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.74 -42.53 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.871 0.367 . . . . 0.0 110.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -68.19 -30.67 69.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.03 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -90.63 0.45 57.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.81 19.65 75.28 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.152 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.505 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -88.46 95.03 10.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.026 0.441 . . . . 0.0 110.002 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 87' ' ' LEU . 16.6 ptpt -76.52 -28.79 56.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.961 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 -49.51 76.95 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.0 m -63.37 -30.86 71.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 84' ' ' LYS . 93.9 mt -60.11 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.331 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 36.6 mt-10 -62.86 -41.62 99.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.929 0.395 . . . . 0.0 111.182 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -66.76 -45.29 79.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.38 -34.4 75.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.43 -43.9 96.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 110.755 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 27.9 mm-40 -68.35 -35.92 78.46 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.195 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.62 -44.2 91.3 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 109.774 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.35 -41.47 97.11 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.42 -46.12 91.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.329 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.68 -42.89 85.82 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.89 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.551 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.32 -45.55 76.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.1 tt -62.04 -45.86 91.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -62.02 -41.19 97.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.598 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.0 -36.95 80.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.457 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 97' ' ' ALA . 99.6 mt -61.61 -45.27 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -58.04 -44.49 87.4 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.365 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.93 -41.86 97.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.341 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.06 -38.47 66.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.65 -31.98 62.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 111.777 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -82.76 -34.19 27.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.106 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.7 mttm 58.33 -81.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 123.89 0.876 . . . . 0.0 112.508 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.2 tttp 57.38 40.95 27.09 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.603 0.716 . . . . 0.0 109.549 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.265 -177.326 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.754 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.468 0.425 0 CA-C-O 120.869 0.366 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -60.2 -36.97 78.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.404 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -59.18 -31.69 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.425 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.46 -51.51 50.53 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.705 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.3 -27.81 69.58 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.273 0.558 . . . . 0.0 110.622 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.98 -53.4 13.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.601 ' HA ' F22D ' A' ' 201' ' ' 7BU . 66.6 ttt-85 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.335 177.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.516 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 p -64.44 -23.07 67.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.184 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -76.63 -48.65 8.73 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 49.1 m-20 -59.01 -44.98 91.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 122.284 0.233 . . . . 0.0 110.898 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.25 -40.1 95.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.886 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.91 -38.88 83.56 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 102' ' ' ARG . 64.8 t -66.83 -41.44 87.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -60.95 -38.53 86.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.43 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.23 -38.67 85.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.997 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.73 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -64.98 -39.59 93.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.915 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.94 -38.55 82.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -47.63 84.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 47.0 mt-10 -66.54 -52.86 41.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.464 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.42 -34.12 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.84 -44.04 94.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.79 -21.33 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.533 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.2 mttt -90.58 -13.12 35.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.218 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.63 28.81 73.75 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.133 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.27 80.75 3.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.126 0.488 . . . . 0.0 110.664 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 -29.73 45.81 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.459 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -63.42 -50.24 70.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.044 0.449 . . . . 0.0 110.835 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -75.57 -32.83 60.53 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.075 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 1.9 tt -58.99 -48.01 83.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.818 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.73 -40.44 92.38 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 110.879 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.43 -45.12 88.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.027 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -33.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.001 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 92.5 mt -59.84 -34.57 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.244 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -64.83 -39.14 93.09 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.07 -45.7 87.61 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.396 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 43' ' ' ILE . 78.2 mt -64.87 -49.28 80.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.581 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 10.5 tp10 -56.95 -45.23 82.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.5 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 21.2 mm-40 -64.49 -43.84 92.9 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.8 -35.95 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.474 0.175 . . . . 0.0 111.474 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.4 mt -61.47 -46.67 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 79.8 mm-40 -62.04 -45.32 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.602 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 67.2 mttm -67.16 -34.11 76.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -77.16 -44.85 28.77 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 59.4 ttt180 -68.27 -30.31 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.396 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -56.3 -41.34 75.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.932 0.396 . . . . 0.0 110.378 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.33 -28.9 64.41 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -74.37 -40.7 61.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.183 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 2.3 m-20 -70.69 -28.86 65.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.08 0.466 . . . . 0.0 110.828 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -90.08 22.63 3.15 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.162 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -152.03 -38.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 80.05 -45.85 0.3 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.069 0.948 . . . . 0.0 111.755 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -32.49 112.13 0.11 Allowed 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.415 ' HA ' F21A ' A' ' 201' ' ' 7BU . . . -117.11 -22.89 8.17 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.059 177.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.83 -45.08 0.6 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.811 0.844 . . . . 0.0 111.335 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -132.93 123.18 25.46 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.13 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.0 m -67.36 -34.09 76.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.45 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.47 -36.5 82.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.733 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.43 89.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.436 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.791 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.19 -45.64 93.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.407 HE22 HD11 ' A' ' 104' ' ' LEU . 43.2 mt-30 -68.26 -29.99 68.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.86 -48.62 69.77 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.46 -40.97 88.59 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.026 0.441 . . . . 0.0 110.213 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.3 -42.53 99.44 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.579 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.06 -39.78 87.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.935 0.398 . . . . 0.0 109.997 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 89.6 t -67.23 -40.36 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.779 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -62.01 -45.17 94.77 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.712 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.61 -38.48 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.239 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.36 -43.69 96.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.517 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.8 mt-30 -62.3 -42.19 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -64.49 -38.79 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.188 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.4 t80 -60.67 -45.79 92.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.713 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -58.11 -42.2 85.19 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -66.37 -33.93 76.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.93 67.95 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.264 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.9 mt -72.86 -45.48 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.536 0.684 . . . . 0.0 109.281 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -70.19 -33.49 71.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.743 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -94.71 2.54 55.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.41 73.21 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.975 -0.631 . . . . 0.0 114.193 174.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.3 t70 -88.02 96.06 10.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 117.518 0.659 . . . . 0.0 109.304 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -64.53 -41.06 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.591 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.952 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -64.13 -33.39 75.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.3 mt -61.41 -49.65 75.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.117 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 30.0 mt-10 -59.35 -49.24 78.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.954 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.45 -44.86 70.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.5 mt -64.7 -34.33 78.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.057 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 43.4 tp -68.46 -42.28 78.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.229 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 88' ' ' GLU . 31.5 mt-10 -66.13 -36.67 83.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.98 0.419 . . . . 0.0 110.149 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.17 -38.34 90.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.458 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.3 mt -61.94 -40.6 96.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.938 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.5 mt-10 -61.78 -44.67 96.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 78.9 mm-40 -69.0 -44.53 72.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.238 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.1 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.471 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.633 ' HG ' F22C ' A' ' 201' ' ' 7BU . 6.7 tt -61.91 -46.2 90.4 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.356 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -65.03 -32.4 74.1 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.595 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 8.7 mtpm? -71.54 -41.53 69.04 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.738 0.304 . . . . 0.0 111.076 -178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.41 HD12 F21C ' A' ' 201' ' ' 7BU . 91.7 mt -61.61 -44.86 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.229 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.566 ' HD2' HG21 ' A' ' 14' ' ' VAL . 67.7 mtp85 -66.36 -35.2 79.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.5 -42.87 99.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.104 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.453 HD22 ' HG3' ' A' ' 108' ' ' LYS . 98.9 mt -66.83 -40.71 88.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.436 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.72 -22.61 62.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.486 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -87.9 -29.84 20.57 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -171.74 98.22 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.822 -174.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.453 ' HG3' HD22 ' A' ' 104' ' ' LEU . 13.6 tmtt? -165.36 -58.48 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.227 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.6 m120 . . . . . 0 C--O 1.25 1.131 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.21 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.716 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.493 0.187 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 72.51 -9.5 1.05 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.176 0.99 . . . . 0.0 113.232 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -67.25 -26.89 66.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.924 0.392 . . . . 0.0 110.183 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.83 -50.01 75.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.149 175.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -65.45 -43.5 90.16 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.612 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.7 tp -49.94 -52.94 29.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.468 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HA ' F22D ' A' ' 201' ' ' 7BU . 5.1 tpt180 -64.73 -44.57 89.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.715 0.293 . . . . 0.0 111.419 176.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.681 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -66.44 -20.49 66.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.058 0.456 . . . . 0.0 111.071 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -75.13 -49.08 9.97 Favored Glycine 0 N--CA 1.438 -1.18 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 m-20 -57.82 -41.49 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.592 176.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' HD13 ' A' ' 42' ' ' LEU . 39.4 tt0 -61.76 -44.56 96.66 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.09 -39.64 90.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.2 t -60.88 -45.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.939 0.4 . . . . 0.0 110.095 176.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 86.2 mm-40 -57.43 -45.43 84.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.496 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.81 85.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.042 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.115 0.484 . . . . 0.0 109.764 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -63.67 -37.95 89.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.993 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.11 -35.29 79.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.757 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.49 -39.19 92.67 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.795 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -63.59 -46.4 86.01 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.921 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.7 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 29.6 tt0 -61.19 -51.83 67.38 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 -178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 HD11 HG21 ' A' ' 35' ' ' VAL . 74.6 mt -56.75 -36.52 49.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.821 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -68.14 -47.74 67.24 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.4 -33.45 75.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.942 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.7 ' HD3' ' O ' ' A' ' 22' ' ' GLU . 3.9 mptp? -88.69 -5.18 58.29 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.01 29.88 62.84 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.457 0.543 . . . . 0.0 114.457 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.73 84.58 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.812 0.806 . . . . 0.0 110.759 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.68 -30.39 63.37 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.063 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.69 -47.8 61.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.987 0.422 . . . . 0.0 110.624 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.6 p -65.99 -32.03 73.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.729 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 HD13 ' A' ' 79' ' ' ILE . 41.0 tp -62.12 -43.4 98.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.948 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -58.26 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.741 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.84 -46.07 66.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.311 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.415 HG21 HD11 ' A' ' 23' ' ' ILE . 53.9 t -69.1 -34.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.42 -34.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.384 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 39.3 mt-10 -68.76 -39.33 80.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.776 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 42.4 mm-40 -64.38 -45.45 87.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.985 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 43' ' ' ILE . 82.7 mt -60.46 -48.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.97 -38.99 77.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.395 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 42.8 mm-40 -71.38 -34.97 70.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.844 0.354 . . . . 0.0 110.553 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 59.3 mt -66.31 -37.17 84.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.2 mt -61.13 -42.58 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.43 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.671 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 78.7 mt-30 -63.34 -46.79 84.98 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.984 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 48.0 mtmt -61.57 -34.5 75.7 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.119 0.485 . . . . 0.0 111.235 -177.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.38 -43.66 39.68 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.658 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -65.77 -33.2 75.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.877 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.671 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.4 mt-30 -58.38 -32.79 68.92 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.052 0.453 . . . . 0.0 110.6 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.29 -33.8 67.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.302 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -76.92 -30.93 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.983 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -69.41 -26.8 64.81 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.634 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.35 -65.28 0.68 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.546 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.9 91.87 3.61 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.567 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -89.06 172.47 9.08 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 69.96 37.97 1.65 Allowed 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.049 0.84 . . . . 0.0 111.508 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.8 31.05 5.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.712 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 68.48 -177.92 0.21 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.042 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 65.28 47.8 2.3 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.63 0.729 . . . . 0.0 110.689 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.72 -23.05 49.51 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.658 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -62.17 -41.37 98.26 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-O 120.907 0.384 . . . . 0.0 110.055 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.4 94.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.92 -38.4 69.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 110.2 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -64.29 -44.52 91.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.382 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -68.11 -40.77 82.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.292 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.67 -38.77 96.44 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.58 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.4 m-20 -62.92 -40.94 99.14 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 117.123 0.461 . . . . 0.0 110.727 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.24 -42.48 96.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.106 0.479 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.56 -38.09 80.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.194 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -66.63 -39.93 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.129 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 9.4 mm100 -61.47 -45.71 93.11 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.046 0.45 . . . . 0.0 109.981 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.66 -37.38 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.07 -43.19 99.26 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.192 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 96.6 mt-30 -60.9 -44.15 97.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.344 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 90.4 mtt180 -63.29 -38.68 92.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.88 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.0 t80 -59.97 -47.12 87.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.829 178.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -58.25 -45.97 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.884 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 43.9 mm-40 -65.47 -33.73 76.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -177.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.11 69.44 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.452 HD13 HD21 ' A' ' 32' ' ' LEU . 92.3 mt -71.2 -37.56 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -65.25 -31.27 72.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.139 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -88.99 -6.62 57.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.583 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.2 27.79 73.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.629 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 14.6 t70 -93.15 102.13 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.845 0.323 . . . . 0.0 110.418 -177.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.2 pttp -72.76 -25.52 61.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.044 0.449 . . . . 0.0 110.599 -175.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 28.3 m-20 -66.56 -48.61 69.1 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.397 -172.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.5 p -71.05 -30.62 66.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.753 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.1 mt -60.78 -46.73 89.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.632 0.253 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 39.9 mt-10 -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.645 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -69.0 -46.29 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.673 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 96.3 mt -66.11 -39.18 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.721 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 52.1 tp -61.1 -44.9 96.65 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.567 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 40.3 mt-10 -62.72 -43.26 99.26 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.16 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.26 -34.47 77.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.241 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.4 mt -63.54 -45.3 91.19 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.0 mt-10 -60.75 -41.72 95.98 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.987 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 76.8 mt-30 -69.19 -44.52 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 111.163 -178.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.83 78.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.99 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.567 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.9 tt -61.8 -47.48 84.93 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.009 0.433 . . . . 0.0 110.852 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 48.4 mt-30 -64.03 -30.24 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.833 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -72.39 -44.15 62.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.029 0.442 . . . . 0.0 110.208 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.512 HD12 F21C ' A' ' 201' ' ' 7BU . 92.4 mt -62.57 -46.51 96.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -58.01 -41.21 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 28.9 mm-40 -68.13 -30.29 69.4 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.13 -43.82 61.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.17 0.51 . . . . 0.0 110.118 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.68 -31.5 63.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.063 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.71 -8.88 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.037 0.446 . . . . 0.0 111.083 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.23 101.63 2.88 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 tttm 68.85 141.74 0.04 OUTLIER 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.704 0.802 . . . . 0.0 111.977 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 C--N 1.309 -1.174 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.927 176.902 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.73 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 CA--C 1.522 -0.129 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 64.8 102.4 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.321 0.649 . . . . 0.0 112.155 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -67.52 -28.9 68.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.701 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 43.0 mm-40 -66.42 -42.78 87.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.135 177.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -66.86 -44.68 80.35 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.6 -48.66 48.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.173 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HA ' F22D ' A' ' 201' ' ' 7BU . 7.3 mmm180 -62.29 -46.02 90.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.717 175.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 88.7 mm-40 -60.77 -44.88 96.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.874 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -65.5 -23.97 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.721 0.296 . . . . 0.0 111.25 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -70.35 -52.3 17.86 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -43.44 74.25 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 120.763 0.316 . . . . 0.0 111.365 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.08 -45.02 95.35 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.803 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.53 -44.4 97.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.069 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 10' ' ' GLY . 91.1 t -61.02 -45.55 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.501 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -59.25 -38.3 79.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.21 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.96 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 0.0 110.442 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -64.25 -38.43 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.62 -43.94 97.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -65.43 -34.79 79.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.094 0.473 . . . . 0.0 109.82 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.08 -39.57 86.53 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.959 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.76 -46.61 89.8 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.438 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.11 -52.58 64.31 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.442 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.9 mt -56.71 -40.19 68.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.379 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -68.28 -49.18 62.28 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.553 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.856 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.54 3.81 53.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.712 0.291 . . . . 0.0 111.42 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.7 29.65 58.42 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.3 87.76 5.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 118.357 1.078 . . . . 0.0 112.214 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 m-20 -56.13 -32.8 64.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.65 -47.62 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -74.22 -32.2 62.92 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.194 0.521 . . . . 0.0 109.98 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 31.1 tp -61.08 -42.87 99.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.621 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 37.5 mt-10 -57.86 -46.25 85.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.008 0.432 . . . . 0.0 111.242 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.16 -38.82 92.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.666 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.423 HG21 ' CD1' ' A' ' 23' ' ' ILE . 57.7 t -69.65 -34.97 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.307 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.1 mt -60.78 -35.25 75.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.99 -41.77 90.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.2 tp10 -67.28 -42.52 83.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.159 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 69.5 mt -62.33 -47.61 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.17 -38.6 73.82 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.527 0.203 . . . . 0.0 111.302 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.36 -44.87 86.3 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.734 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.6 mt -62.3 -37.47 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.273 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.2 mt -63.92 -48.04 87.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.465 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.63 -43.0 90.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.502 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.86 -35.65 81.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.621 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -76.54 -41.7 45.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.979 0.418 . . . . 0.0 109.965 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -68.89 -33.53 73.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.102 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.44 70.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 111.099 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.88 -28.27 68.19 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -71.33 -27.36 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.385 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -58.7 -38.84 79.16 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -100.02 17.7 20.38 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.269 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -157.96 84.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -72.0 -34.62 69.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.373 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -37.39 107.29 0.06 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.52 119.11 26.33 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.456 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.42 -34.75 71.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.191 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -142.97 123.43 13.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.568 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 21.0 p -79.0 -25.89 43.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.929 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.73 -36.15 81.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.994 0.426 . . . . 0.0 109.877 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.61 95.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.801 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.95 84.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.331 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 59' ' ' THR . 68.6 mttm -63.14 -43.02 99.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.292 177.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.38 -30.64 70.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.67 -48.73 64.73 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.57 -38.79 88.82 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.649 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp60 -63.32 -43.57 97.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.069 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -61.38 -40.01 92.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.79 -41.03 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.951 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 9.3 tt0 -67.69 -40.36 84.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.223 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 94.2 mt -61.99 -39.62 92.81 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.53 -41.21 96.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.384 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -64.95 -38.68 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -68.65 -36.64 78.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 79' ' ' ILE . 83.8 t80 -60.98 -49.18 78.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.699 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.418 ' HG2' ' OD2' ' A' ' 80' ' ' ASP . 49.6 ttt180 -65.82 -36.19 82.78 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.613 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 2.6 mm-40 -59.84 -39.71 86.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.34 74.74 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.792 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.422 HD11 ' CE2' ' A' ' 75' ' ' PHE . 95.5 mt -57.14 -45.43 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.245 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' OD2' ' HG2' ' A' ' 76' ' ' ARG . 73.9 m-20 -63.12 -34.02 76.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 109.917 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 31.6 mmtp -88.68 5.11 44.71 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.13 12.81 66.16 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.994 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -83.48 98.91 9.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.27 0.557 . . . . 0.0 111.829 -177.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.28 -31.41 58.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.358 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.47 -49.95 75.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.641 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -66.48 -29.87 70.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.7 mt -58.13 -40.37 81.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.763 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.14 -46.12 89.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.589 0.233 . . . . 0.0 111.383 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.68 -46.2 69.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.713 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.68 -34.88 78.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.903 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.63 -38.36 80.44 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.4 -45.27 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -65.26 -39.53 92.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.364 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.43 -47.79 80.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.591 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.27 90.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.023 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 79.8 mt-30 -63.97 -42.98 97.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.048 0.451 . . . . 0.0 111.32 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.15 73.18 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.632 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.464 HD12 F21C ' A' ' 201' ' ' 7BU . 7.4 tp -61.12 -46.93 88.58 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 1.7 mp0 -62.87 -38.63 91.62 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.996 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 73.1 mmtt -70.14 -41.68 73.55 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.549 -176.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.408 HD12 F21C ' A' ' 201' ' ' 7BU . 92.5 mt -60.99 -45.89 97.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.21 -39.01 93.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.43 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.2 mt-10 -62.4 -45.9 91.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.627 0.251 . . . . 0.0 111.12 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.28 -42.61 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.832 0.348 . . . . 0.0 111.505 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.94 -27.9 64.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.908 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.79 -34.19 15.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.805 0.336 . . . . 0.0 111.905 -177.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -100.61 19.76 16.35 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.381 -176.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -55.31 -41.4 72.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.604 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 C--O 1.255 1.347 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.469 175.134 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.719 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 120.716 0.293 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.64 -39.06 11.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -174.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.14 -44.04 85.33 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -58.46 -39.64 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.784 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -71.95 -42.4 66.64 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.64 -53.28 32.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.441 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.571 ' HA ' F22D ' A' ' 201' ' ' 7BU . 68.3 ttt-85 -64.43 -43.36 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.895 178.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -58.93 -44.25 91.31 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -68.31 -16.56 63.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.518 . . . . 0.0 110.641 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.76 -50.35 5.3 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.63 -44.36 77.06 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.215 0.531 . . . . 0.0 109.749 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.65 -44.62 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.724 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.37 -40.19 95.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.69 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' GLY . 95.6 t -64.42 -46.9 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.981 0.42 . . . . 0.0 110.45 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 78.6 mt-30 -58.83 -42.85 90.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.026 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.13 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.981 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.71 -38.23 74.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.4 -40.12 96.35 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 21.2 mmt180 -65.16 -35.96 82.74 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.252 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.14 -36.76 78.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.484 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.432 HH21 ' CG ' ' A' ' 25' ' ' ASP . 3.1 mmm180 -65.97 -47.69 73.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 53.5 mm-40 -67.99 -29.97 69.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.256 -176.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.9 mt -76.48 -35.97 27.54 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -72.07 -43.4 64.92 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.664 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' HH21 ' A' ' 21' ' ' ARG . 20.1 m-20 -63.45 -32.69 74.21 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.292 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 47.3 mmtm -89.08 0.49 56.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.274 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.46 29.31 74.92 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 114.408 0.523 . . . . 0.0 114.408 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.71 76.89 4.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.552 0.676 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.51 -28.02 58.82 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.836 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.17 -48.79 69.57 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.434 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -74.1 -32.51 63.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 32.3 tp -60.2 -48.19 82.76 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.921 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.82 -46.1 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.72 -40.15 91.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.9 t -69.85 -34.85 62.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 mt -60.43 -42.92 97.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.206 -0.309 . . . . 0.0 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.81 -39.01 92.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.232 0.539 . . . . 0.0 109.665 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.59 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.4 tt0 -64.66 -44.07 91.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.32 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.4 mm -60.46 -48.97 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.215 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.64 -39.78 81.51 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.391 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -70.08 -35.34 74.12 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.277 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.3 mt -66.39 -36.16 82.16 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.0 mt -61.31 -43.14 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.65 -44.79 92.8 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -63.61 -35.86 81.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.992 0.425 . . . . 0.0 111.245 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.74 -44.61 32.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.287 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HG3' F23B ' A' ' 201' ' ' 7BU . 72.1 ttt-85 -68.64 -32.47 72.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 178.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -60.04 -34.78 73.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.982 0.42 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.23 -28.79 61.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.218 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -72.3 -30.3 64.66 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.468 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -78.12 -11.9 59.95 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.805 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -105.08 10.12 34.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.818 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -125.86 -48.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.536 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 63.09 29.16 16.25 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.995 0.426 . . . . 0.0 111.571 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -141.31 131.92 25.53 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.086 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.13 139.23 51.55 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.992 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.538 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -71.76 -22.27 61.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.387 0.613 . . . . 0.0 109.449 177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -154.01 123.17 6.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.48 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.4 m -67.69 -44.73 77.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.023 0.439 . . . . 0.0 111.204 -176.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -63.16 -34.26 77.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.663 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.73 93.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.615 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.98 95.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.926 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.59 -42.76 99.32 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.54 -31.29 72.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.683 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.24 -47.5 89.3 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.727 177.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 52.0 m-20 -58.66 -44.81 90.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.939 0.4 . . . . 0.0 110.43 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -62.2 -41.0 97.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.072 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.402 ' CD2' F21C ' A' ' 201' ' ' 7BU . 77.9 t90 -60.48 -39.92 89.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 65' ' ' GLY . 94.7 t -63.41 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 78.0 mm-40 -65.53 -43.15 90.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.7 -42.14 98.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.451 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -60.55 -45.14 95.0 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.651 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.5 mm-40 -61.56 -44.42 97.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.1 mtt180 -64.03 -34.76 78.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.94 0.4 . . . . 0.0 110.129 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.74 -48.09 78.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.738 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 76' ' ' ARG . 2.2 ttp180 -64.0 -40.24 95.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.382 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 50.5 mt-10 -63.19 -33.38 75.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.058 0.456 . . . . 0.0 110.161 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.44 74.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.8 mt -71.82 -36.74 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -69.19 -37.85 78.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.206 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -84.59 -7.81 59.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.352 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.8 27.82 70.08 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.842 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.48 96.89 10.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -69.86 -32.7 71.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.905 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.534 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.2 m -66.66 -30.09 70.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.47 -49.57 76.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.137 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.13 -45.22 67.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.198 0.523 . . . . 0.0 110.92 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.02 -36.67 78.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.043 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 48.8 tp -63.81 -43.38 96.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 28.5 tp10 -62.27 -45.16 94.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.507 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.59 -34.12 75.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.641 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.9 mt -60.46 -47.32 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.051 0.453 . . . . 0.0 110.093 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 43.4 mt-10 -61.06 -43.27 99.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.725 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 95.7 mt-30 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 0.0 111.249 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.51 71.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.206 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.578 ' HA ' F22C ' A' ' 201' ' ' 7BU . 4.6 tt -61.2 -46.82 88.89 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.952 0.406 . . . . 0.0 110.795 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 96.6 mt-30 -62.44 -30.5 71.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -73.81 -44.37 56.05 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.41 HD12 F21C ' A' ' 201' ' ' 7BU . 81.2 mt -60.44 -46.64 94.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.048 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HD2' HG21 ' A' ' 14' ' ' VAL . 46.7 ttt180 -66.2 -31.93 73.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 0.0 109.537 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 33.0 tt0 -67.98 -46.56 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.06 -42.26 60.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.47 -23.03 66.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -102.7 -0.56 31.51 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.182 0.515 . . . . 0.0 109.846 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt 59.2 33.89 22.91 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.68 0.752 . . . . 0.0 109.514 -177.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 68.7 -59.79 0.45 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.322 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.336 -179.326 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.725 F21D ' C3C' ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 120.566 0.222 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.48 155.83 39.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 0.0 111.808 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.35 -21.46 66.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.044 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.93 -51.36 64.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.266 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HB3' HD13 ' A' ' 49' ' ' LEU . 97.1 mttt -62.61 -24.98 67.86 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.682 179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 53' ' ' ARG . 53.4 tp -72.51 -48.72 38.25 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.6 ' HA ' F22D ' A' ' 201' ' ' 7BU . 7.9 mtp180 -67.25 -36.95 82.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.526 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.1 -30.85 71.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.504 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -88.27 -18.21 29.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.254 0.55 . . . . 0.0 110.188 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.96 -48.39 6.12 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.84 -37.07 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.715 0.293 . . . . 0.0 110.743 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.78 -45.28 93.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.1 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.53 -39.77 92.27 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.625 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 93.6 t -64.35 -47.19 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.4 -45.26 88.7 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.935 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.5 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.255 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.32 -39.0 88.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.943 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.5 mt-30 -65.2 -40.05 93.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.903 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -62.16 -37.15 84.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.055 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.99 -45.55 88.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.479 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.78 -51.36 69.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.597 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.22 -35.77 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.792 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD2' HD22 ' A' ' 91' ' ' LEU . 46.6 t80 -68.58 -47.12 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.675 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -61.83 -31.06 71.27 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -82.39 -1.55 50.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.22 27.47 57.71 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 114.153 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -91.75 87.31 6.24 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.794 -0.763 . . . . 0.0 111.589 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.78 -29.12 64.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.293 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.44 -50.02 66.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.1 t -74.88 -32.31 61.83 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.031 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.3 tp -61.58 -47.65 84.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 36' ' ' LEU . 10.8 pt-20 -60.29 -42.09 94.75 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.44 -40.93 85.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.3 t -66.3 -32.76 59.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.033 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.08 -39.6 82.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.641 0.258 . . . . 0.0 110.4 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.12 -32.97 74.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 109.942 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.1 tp10 -67.36 -43.9 80.32 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 43' ' ' ILE . 47.8 mm -62.35 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.844 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 48.1 mt-10 -56.7 -41.48 77.47 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.352 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.51 -35.43 73.21 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 71.8 mt -68.23 -35.28 77.7 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.797 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -59.86 -44.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 71.5 mm-40 -69.63 -39.28 77.26 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.419 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.4 -44.59 96.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.407 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -70.17 -42.59 72.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.371 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -66.86 -31.78 72.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.563 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 53.2 mm-40 -60.71 -36.85 79.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 111.354 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 94.7 mt -75.57 -28.82 59.12 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.038 0.447 . . . . 0.0 110.029 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -68.62 -28.75 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.673 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -72.37 -12.32 61.07 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.331 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -116.09 13.27 15.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.021 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 23.9 mmm180 -96.03 140.71 30.38 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.783 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -77.55 147.32 35.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 57.78 -161.98 0.22 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.235 0.334 . . . . 0.0 110.809 -175.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.55 -11.35 13.05 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.723 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 69.68 -54.83 0.59 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.799 0.84 . . . . 0.0 111.166 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 9.2 t70 -154.51 120.52 5.26 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 p -73.27 -40.59 64.48 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.348 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 tp10 -65.58 -40.11 92.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.23 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 58' ' ' ASP . . . -62.8 -45.2 93.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.72 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -62.68 -44.57 95.91 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.931 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.537 ' OE1' ' HE3' ' A' ' 100' ' ' LYS . 34.5 mt-30 -65.35 -34.55 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -43.02 99.88 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.651 176.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.39 -45.69 87.83 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 120.973 0.416 . . . . 0.0 110.153 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.08 -42.49 96.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.848 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.418 ' CG ' F21C ' A' ' 201' ' ' 7BU . 70.7 t90 -62.84 -39.21 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.391 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 65' ' ' GLY . 81.8 t -65.15 -41.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.09 -36.01 81.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.486 0.66 . . . . 0.0 109.592 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -69.28 -42.26 75.73 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.031 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.65 -37.22 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.058 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -58.65 -45.02 90.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -64.08 -39.16 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.41 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.445 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.8 t80 -63.02 -48.77 77.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.459 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 76' ' ' ARG . 5.2 tpt180 -58.39 -46.4 86.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.695 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.75 -34.26 75.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.13 -30.94 67.12 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.0 mt -74.32 -41.25 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.99 -32.05 73.46 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.094 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -85.13 -3.25 58.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.817 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.81 26.21 73.92 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.7 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.546 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -92.53 76.78 5.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.587 0.708 . . . . 0.0 111.156 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 87' ' ' LEU . 74.5 mmtt -56.4 -25.31 49.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.726 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -60.15 -50.6 73.05 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.494 0.664 . . . . 0.0 110.295 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -72.85 -30.92 64.39 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.727 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 50.3 mt -60.22 -47.06 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.9 -45.5 90.13 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.04 -46.0 65.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.695 0.283 . . . . 0.0 111.707 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.11 -33.11 75.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.541 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD22 ' CD2' ' A' ' 24' ' ' PHE . 42.4 tp -63.53 -43.04 98.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.975 0.417 . . . . 0.0 110.202 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.41 -44.67 95.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.139 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.726 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.99 -47.28 85.51 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.345 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.0 tt0 -61.68 -46.21 90.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.833 -178.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -68.89 -41.06 78.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.994 0.426 . . . . 0.0 111.459 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.57 80.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.597 ' HA ' F22C ' A' ' 201' ' ' 7BU . 8.7 tt -67.15 -44.99 78.42 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.504 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.4 mm-40 -61.89 -36.3 80.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.2 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.537 ' HE3' ' OE1' ' A' ' 64' ' ' GLN . 27.9 ttpt -70.87 -38.44 73.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.404 -176.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.441 HD12 F21C ' A' ' 201' ' ' 7BU . 74.6 mt -62.59 -41.35 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.437 HH11 HG21 ' A' ' 14' ' ' VAL . 35.3 mtp85 -61.83 -38.27 87.56 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 47.9 mt-10 -60.47 -38.54 84.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.847 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.22 -38.98 86.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.46 63.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -85.59 -6.11 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 70.84 24.55 4.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.552 0.741 . . . . 0.0 112.001 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt 63.05 172.36 0.15 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.729 0.776 . . . . 0.0 112.78 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.9 t30 . . . . . 0 C--N 1.311 -1.09 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.325 178.098 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' 7BU . . . . . 0.71 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.2 mt -49.81 -38.42 34.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.698 174.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -70.23 -44.61 68.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.521 0.2 . . . . 0.0 111.282 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -66.62 -32.11 73.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.854 0.359 . . . . 0.0 110.957 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -87.97 -19.11 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.215 0.531 . . . . 0.0 110.338 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -81.21 -42.74 9.15 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.56 -47.87 78.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.923 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -64.93 -40.43 95.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.426 HD23 ' HB2' ' A' ' 42' ' ' LEU . 3.4 tm? -60.96 -46.44 90.71 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.107 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.604 HG21 ' HD2' ' A' ' 102' ' ' ARG . 73.0 t -63.56 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.437 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.59 -41.65 81.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.4 80.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.226 0.536 . . . . 0.0 109.995 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -64.8 -39.52 93.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.073 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -65.98 -37.44 85.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.63 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.16 -35.54 80.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.769 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.46 -36.89 83.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.93 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.48 -44.74 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.842 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.69 -51.85 67.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.303 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' A' ' 35' ' ' VAL . 81.4 mt -57.71 -35.39 50.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.485 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.3 -47.4 70.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -63.41 -27.07 69.04 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.263 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.43 -4.07 58.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.487 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.77 27.92 56.41 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.301 -0.476 . . . . 0.0 114.081 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.01 84.85 5.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.432 0.616 . . . . 0.0 110.838 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -57.0 -28.42 62.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.412 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.13 -49.38 70.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.041 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -73.58 -31.82 63.8 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.13 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.7 tp -60.0 -45.4 92.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.412 -177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.22 -42.65 98.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.68 0.276 . . . . 0.0 111.475 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.12 -43.75 97.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.108 0.48 . . . . 0.0 110.647 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 23' ' ' ILE . 53.0 t -70.28 -35.44 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 81.8 mt -60.88 -36.58 79.57 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.963 0.411 . . . . 0.0 110.275 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 53.0 mm-40 -70.56 -40.65 73.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp10 -62.17 -43.2 99.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.356 0.598 . . . . 0.0 109.6 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 43' ' ' ILE . 61.7 mt -63.36 -47.04 93.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.398 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -57.28 -40.48 77.83 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.69 178.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 51.4 mm-40 -65.99 -38.98 89.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 110.196 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.3 mt -69.36 -36.26 76.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.0 mt -61.53 -46.19 97.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 81.8 mm-40 -63.13 -41.88 99.4 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.407 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.66 -40.84 96.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.323 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -78.54 -44.0 25.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.6 ttt-85 -65.17 -38.05 89.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.755 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -58.1 -33.52 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.26 -37.43 87.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.195 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -77.65 -33.0 53.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 . . . . . 0 CA--C 1.51 -0.561 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.42 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.67 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.44 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.199 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.62 -44.95 95.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.205 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.42 -29.87 65.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.57 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.3 -49.32 66.65 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.74 -37.32 87.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.874 0.368 . . . . 0.0 110.717 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -62.53 -40.75 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.258 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -61.78 -37.95 86.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 65' ' ' GLY . 58.3 t -65.54 -38.88 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.449 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 77.8 mt-30 -68.7 -38.71 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.214 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.83 -39.26 93.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.831 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.0 mt-30 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.378 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 99.1 mtt180 -67.31 -37.14 82.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.0 -47.82 83.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.646 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -65.4 -36.71 84.79 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.987 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 37.8 mt-10 -61.55 -36.84 81.75 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.73 -30.54 68.18 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.16 -40.42 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.86 -33.6 75.06 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.45 -6.13 58.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.86 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.77 27.61 73.04 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.336 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.623 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t70 -91.35 96.97 10.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -72.29 -33.13 67.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.221 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.74 -49.62 74.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.795 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -65.64 -30.72 71.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.726 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.9 mt -59.02 -47.5 84.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.619 0.247 . . . . 0.0 111.032 -178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.34 -41.14 98.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.189 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -68.93 -46.64 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 111.359 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.45 -33.58 76.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.87 -42.92 99.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.229 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.45 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 30.9 tt0 -62.15 -45.03 95.22 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.045 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.82 -35.77 81.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.009 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.18 -48.27 76.57 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.822 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.935 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.45 ' NE2' ' HG2' ' A' ' 92' ' ' GLU . 47.5 mt-30 -64.95 -42.12 94.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.061 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -42.72 87.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.941 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.97 -46.88 87.32 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.719 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.817 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 100' ' ' LYS . 9.6 mtpm? -71.57 -44.13 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.559 0.219 . . . . 0.0 111.439 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 97' ' ' ALA . 95.9 mt -60.94 -46.21 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.604 ' HD2' HG21 ' A' ' 14' ' ' VAL . 42.0 mtp85 -59.0 -42.87 91.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.587 0.232 . . . . 0.0 111.497 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.57 -46.02 91.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.906 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.1 mt -65.83 -42.8 90.08 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.816 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 mt -48.64 -51.31 28.9 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.007 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -64.68 -44.53 90.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.722 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.549 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 54.1 tt0 -60.12 -47.57 85.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.288 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 p -67.59 -21.82 65.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.76 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.35 -47.62 16.56 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 177.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -56.46 -42.04 77.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.104 -0.548 . . . . 0.0 110.723 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 51.7 mt-10 -61.25 -46.07 91.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.302 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.77 -44.77 96.24 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 97.7 t -60.63 -47.61 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.736 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.33 -38.94 74.86 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.395 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.98 77.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -67.21 -38.98 86.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.422 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 87.0 mt-30 -62.4 -37.4 85.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 0.0 109.88 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.578 ' O ' HG12 ' A' ' 23' ' ' ILE . 5.9 ttp180 -68.75 -35.63 77.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.908 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.78 -39.4 88.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -64.47 -46.55 82.58 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.755 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 28.2 tt0 -61.21 -50.01 74.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.896 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 19' ' ' ARG . 48.7 mm -54.68 -37.29 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -70.31 -46.66 63.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.164 0.507 . . . . 0.0 109.941 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.55 -22.03 64.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.326 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 50.9 mtmt -93.09 -6.53 47.87 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.83 26.9 61.1 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.471 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -87.17 80.79 8.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.595 . . . . 0.0 110.021 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.46 -31.01 65.51 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.191 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.91 -48.15 77.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.447 0.641 . . . . 0.0 109.681 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.443 ' OG ' HD12 ' A' ' 23' ' ' ILE . 86.5 p -71.75 -31.01 66.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.956 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 50.0 tp -59.65 -40.97 89.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.285 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 33.7 tt0 -58.37 -44.6 88.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.563 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.27 -39.12 93.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.78 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' ILE . 96.1 t -70.38 -38.23 73.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.753 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.4 mt -61.48 -37.27 83.01 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 41.4 mt-10 -67.21 -40.14 86.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.0 109.854 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.4 mt-10 -67.71 -42.28 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.189 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 43' ' ' ILE . 73.2 mt -63.58 -48.59 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 13.3 tm-20 -57.82 -38.26 75.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.86 -40.48 83.64 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.001 0.429 . . . . 0.0 110.571 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 97.3 mt -68.94 -35.73 77.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.7 mt -60.94 -45.55 98.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 74.0 mm-40 -65.65 -44.81 85.23 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.271 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.76 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.68 -44.61 32.97 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.822 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 24.2 ttt180 -71.5 -31.51 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 93.9 mt-30 -58.34 -31.32 67.46 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.261 0.553 . . . . 0.0 110.501 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.43 -36.14 65.89 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.955 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.87 -34.45 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.488 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.508 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 63.7 m-20 . . . . . 0 N--CA 1.466 0.374 0 CA-C-O 121.2 0.524 . . . . 0.0 110.484 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 29.6 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.604 0.24 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.53 92.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.811 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.29 93.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.38 -44.67 94.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.983 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.549 ' OE1' ' HA ' ' A' ' 101' ' ' ILE . 3.4 pt20 -70.54 -29.0 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.969 0.414 . . . . 0.0 110.129 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.78 -48.39 77.32 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.9 m-20 -63.54 -37.55 87.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.733 0.302 . . . . 0.0 110.711 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -61.75 -42.42 98.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.285 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -61.91 -37.95 86.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.767 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 65' ' ' GLY . 94.2 t -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.981 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 70.9 mm-40 -62.18 -42.61 99.44 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.01 -39.2 91.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -63.98 -42.49 97.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.379 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 92.7 mt-30 -60.85 -44.57 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.079 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 83.4 mtt180 -65.41 -36.89 85.31 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.54 -47.98 83.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.166 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -65.42 -37.57 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.16 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -38.1 87.53 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.743 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.03 -33.01 74.77 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.531 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.73 -34.75 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.179 0.514 . . . . 0.0 109.685 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -73.21 -34.98 66.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.925 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -81.57 -7.86 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.499 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.16 24.64 76.45 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.657 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.439 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t0 -92.41 96.27 10.15 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -73.48 -31.59 63.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.969 -177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.63 -44.68 93.17 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.463 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.9 m -65.74 -30.54 71.21 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.573 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.9 mt -59.03 -47.25 85.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.161 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -61.81 -41.65 98.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.907 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 -45.22 68.34 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.95 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.84 -36.68 84.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.76 -44.93 94.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.411 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.11 -41.77 85.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.837 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.4 mt -64.56 -48.47 74.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.767 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 29.5 tt0 -60.79 -45.74 93.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.65 -39.7 91.68 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.204 0.526 . . . . 0.0 110.797 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.559 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.06 -45.36 70.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.519 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.74 -46.01 91.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.996 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 73.4 mm-40 -60.49 -41.14 93.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.328 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -72.14 -37.02 69.51 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.865 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 97' ' ' ALA . 79.4 mt -61.58 -46.97 95.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.953 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -62.18 -35.25 78.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 109.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.18 -47.46 79.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.916 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.8 mt -73.86 -39.78 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.922 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.749 0 CA-C-O 120.792 0.329 . . . . 0.0 111.374 -178.872 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.3 tptt . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.08 -53.11 21.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -67.22 -37.55 83.79 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.725 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.79 -44.78 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.935 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -73.32 -19.69 60.97 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.959 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -75.54 -49.25 9.34 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.81 -45.03 82.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.487 -0.357 . . . . 0.0 110.915 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.13 -42.31 99.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.374 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.18 -42.15 98.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.748 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.565 HG21 ' HD2' ' A' ' 102' ' ' ARG . 87.9 t -61.74 -47.27 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.834 0.35 . . . . 0.0 110.516 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.627 ' HA ' HE21 ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.12 -45.11 87.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.54 77.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 110.781 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 63.9 t80 -64.56 -39.35 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.247 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -62.99 -38.28 90.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.598 ' O ' HG12 ' A' ' 23' ' ' ILE . 98.5 mtt180 -63.22 -34.23 77.2 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.218 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' C ' HD13 ' A' ' 20' ' ' LEU . 3.1 tm? -58.92 -40.22 83.89 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.69 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -66.42 -42.01 88.39 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.7 -33.05 74.79 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.418 -177.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 19' ' ' ARG . 49.6 mm -78.74 -38.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.516 0.674 . . . . 0.0 109.574 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -72.69 -46.45 53.71 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.662 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.33 -26.18 68.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.152 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -92.68 0.78 57.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.428 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.56 28.25 71.03 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -86.12 79.69 9.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.471 0.636 . . . . 0.0 110.287 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.14 -32.78 64.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.34 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.26 -49.72 72.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.65 0.262 . . . . 0.0 111.379 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -74.91 -32.21 61.74 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.0 tt -59.59 -47.22 86.41 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.167 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.17 -44.21 87.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.96 -41.61 95.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 39' ' ' ILE . 73.4 t -63.85 -34.54 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.08 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.1 mt -59.28 -41.38 88.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.513 0.197 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.8 -32.88 72.92 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.627 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.26 -37.37 77.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.942 0.401 . . . . 0.0 110.015 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -63.55 -48.78 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.336 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.24 -35.91 72.41 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.177 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.2 -45.13 89.63 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.414 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -36.45 78.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.323 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.5 mt -62.32 -48.01 90.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.632 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -63.94 -45.56 88.66 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.73 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.007 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.0 -43.94 41.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 47' ' ' ARG . 23.6 ttt180 -68.41 -32.32 72.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.54 -35.24 72.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -70.19 -32.45 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.363 0.601 . . . . 0.0 109.77 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.73 -30.49 64.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 178.525 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.93 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.132 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.32 83.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.631 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.93 -29.36 66.49 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.39 -47.84 80.19 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.21 -37.8 86.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.474 0.178 . . . . 0.0 111.431 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -42.8 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.593 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -61.31 -40.08 92.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 0.0 110.169 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' GLY . 91.9 t -67.82 -40.43 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.03 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.87 -46.51 78.18 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.358 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.99 -38.6 91.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 77.9 t80 -68.86 -40.51 79.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.36 . . . . 0.0 110.577 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 21.1 tp60 -60.43 -45.81 92.3 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.2 -32.39 73.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.135 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 72' ' ' PHE . 69.3 t80 -59.44 -48.09 82.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.814 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' HD13 ' A' ' 36' ' ' LEU . 11.7 ttt180 -65.59 -37.26 86.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.75 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 46.6 mt-10 -61.14 -34.2 74.62 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.46 82.33 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.709 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.29 -43.77 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.096 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -64.23 -34.61 78.5 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -82.2 -2.89 53.77 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.376 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.78 20.42 79.77 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.594 -0.812 . . . . 0.0 113.567 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -92.97 97.6 10.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.991 0.424 . . . . 0.0 110.618 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -78.07 -28.68 48.89 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.463 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.32 -50.87 72.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.231 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 p -64.11 -28.94 70.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.119 -177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 65.4 mt -59.33 -47.88 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.657 0.265 . . . . 0.0 111.675 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.86 -44.38 73.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.94 0.4 . . . . 0.0 111.038 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.04 -30.98 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 91' ' ' LEU . 28.5 mt -63.62 -43.57 96.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.88 -42.53 97.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.97 -42.32 99.8 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.869 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.16 -44.68 96.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.96 -37.73 88.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.528 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.7 mt-30 -67.95 -43.92 77.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.363 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.84 -47.51 86.02 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -62.01 -37.56 85.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.048 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 97.2 mttt -68.62 -44.29 74.56 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.637 0.256 . . . . 0.0 111.178 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.98 -46.72 96.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.565 ' HD2' HG21 ' A' ' 14' ' ' VAL . 8.9 mtp180 -59.08 -41.05 87.07 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.464 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.27 -46.53 89.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.907 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.92 -42.21 85.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.72 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.235 0.299 0 CA-C-O 121.32 0.581 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.09 -46.01 25.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -67.67 -37.2 82.02 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.364 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 21.8 tm0? -61.77 -47.44 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.25 -23.39 67.04 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.201 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.95 -48.87 10.67 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -57.18 -40.62 77.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.449 0.3 . . . . 0.0 110.608 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 13.8 mm-40 -61.95 -43.9 97.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.037 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.8 t -62.46 -43.74 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.299 0.571 . . . . 0.0 109.845 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.74 -45.55 85.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.449 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.14 82.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.16 -39.46 94.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.065 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -64.68 -43.95 91.9 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 76.7 ttt180 -62.63 -35.96 81.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.818 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' A' ' 39' ' ' ILE . 40.5 tp -61.89 -40.96 97.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.257 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.6 tpt180 -65.66 -40.61 92.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 36.4 mt-10 -61.98 -52.48 63.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.487 HG13 HG21 ' A' ' 35' ' ' VAL . 44.7 mm -57.47 -35.98 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.48 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.7 -47.97 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.708 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -64.56 -21.23 66.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.394 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 74.8 mmtt -88.66 -9.59 51.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.035 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 28.43 57.06 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.405 -0.426 . . . . 0.0 113.419 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -95.72 90.43 5.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.334 0.567 . . . . 0.0 111.604 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.15 -32.4 64.24 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -67.69 -48.27 67.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.742 0.306 . . . . 0.0 111.397 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -72.48 -30.34 64.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.917 0.389 . . . . 0.0 109.971 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.4 tp -60.05 -40.18 88.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.274 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.83 -40.1 87.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.3 0.571 . . . . 0.0 110.184 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -69.26 -45.32 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.056 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.487 HG21 HG13 ' A' ' 23' ' ' ILE . 79.9 t -66.3 -35.12 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 111.033 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -60.85 -33.9 73.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.721 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.27 -38.31 75.05 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 7.6 mm-40 -62.58 -44.74 95.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 43' ' ' ILE . 81.1 mt -63.62 -47.93 89.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.087 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.06 -37.36 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.633 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.32 -44.96 86.14 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.261 0.553 . . . . 0.0 110.248 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.2 mt -69.76 -36.6 75.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.754 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.6 mt -61.46 -47.65 92.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.579 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 83.3 mm-40 -65.47 -45.76 82.46 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.49 -34.45 75.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -76.6 -43.95 36.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.163 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 47' ' ' ARG . 19.1 ttt180 -66.72 -30.93 71.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.273 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.8 mt-30 -57.65 -37.4 73.3 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.699 0.285 . . . . 0.0 110.839 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.47 -33.64 76.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.23 0.538 . . . . 0.0 110.233 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -75.32 -34.25 61.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.515 -179.516 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.233 0.23 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.05 83.76 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.056 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.79 -35.23 78.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.403 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.467 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.19 -41.01 86.57 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.01 -40.3 98.29 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -44.57 94.86 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.726 0.298 . . . . 0.0 110.451 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.45 -39.84 95.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.2 -38.16 82.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.985 0.421 . . . . 0.0 110.242 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 93.3 t -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.455 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.84 -39.76 83.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.336 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.3 -39.86 94.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.825 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -63.2 -39.15 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.325 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.33 -42.26 98.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.189 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -68.23 -35.16 77.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.144 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.2 -48.09 81.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.616 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -58.75 -39.43 80.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.28 -36.23 82.44 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.145 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.49 -31.36 69.59 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.592 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.61 -37.58 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.71 -32.48 72.32 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.726 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.46 -11.58 58.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.787 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.34 26.2 73.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.051 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.6 t70 -93.17 100.26 12.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.052 0.453 . . . . 0.0 110.218 -176.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -69.44 -31.54 69.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -175.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.8 m-20 -64.82 -51.13 63.76 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.192 -176.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 p -65.72 -31.53 72.57 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.9 mt -59.82 -48.04 83.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.277 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 85' ' ' ASP . 76.4 mm-40 -68.35 -45.24 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.945 0.402 . . . . 0.0 111.196 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.2 mt -69.27 -37.43 77.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.17 -42.83 99.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.56 -42.53 98.33 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.209 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.98 -40.18 94.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.187 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 79.1 mt -60.78 -45.59 93.78 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.51 -44.98 95.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.549 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tt0 -68.18 -42.91 79.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.896 0.379 . . . . 0.0 111.091 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.7 -41.1 84.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.134 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.2 tt -61.32 -46.91 88.31 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.336 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.86 -35.65 80.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.319 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 65.5 mttm -71.47 -40.62 70.16 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.177 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 97' ' ' ALA . 96.3 mt -61.55 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -58.21 -37.14 74.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.957 0.408 . . . . 0.0 111.056 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.1 -46.11 78.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.808 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.63 -42.44 61.44 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.714 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.58 -51.13 39.33 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.139 172.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -63.59 -44.1 95.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -60.78 -43.52 97.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p -68.65 -20.18 64.44 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -72.84 -44.39 38.12 Favored Glycine 0 N--CA 1.438 -1.218 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.536 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 6.8 m-20 -57.13 -42.71 81.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.077 -0.561 . . . . 0.0 110.857 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.03 -43.56 98.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.13 -41.33 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 96.6 t -63.05 -44.34 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.26 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 95.7 mt-30 -57.5 -44.57 85.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.414 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.31 81.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.797 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.72 -39.16 90.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.476 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 95.9 mt-30 -64.02 -37.22 86.64 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.175 0.512 . . . . 0.0 109.783 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -69.34 -36.02 76.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.382 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.31 -43.57 98.52 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.971 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.4 mmm180 -63.49 -46.71 84.9 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.769 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.05 -52.53 64.55 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.851 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.585 HG23 ' HB3' ' A' ' 28' ' ' ASP . 77.2 mt -60.99 -36.51 72.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.058 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -68.79 -47.93 64.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 109.839 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.08 -23.66 66.64 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.462 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -90.37 1.73 56.29 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.873 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.63 56.62 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 114.367 0.507 . . . . 0.0 114.367 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.585 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.9 t0 -91.14 83.19 5.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.482 0.641 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.76 -34.67 67.8 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.404 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.07 -49.52 69.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.5 t -74.39 -30.4 61.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.871 0.367 . . . . 0.0 110.342 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -60.26 -42.43 95.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.563 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 36' ' ' LEU . 44.7 mt-10 -62.72 -40.78 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.308 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.3 -41.0 98.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.382 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 23' ' ' ILE . 80.1 t -70.09 -33.21 54.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.403 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.0 mt -59.02 -40.42 84.93 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.9 tt0 -65.57 -38.93 90.97 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.945 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.5 -41.84 99.09 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.489 ' O ' HG13 ' A' ' 43' ' ' ILE . 77.4 mt -63.37 -47.83 90.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.372 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.87 -41.21 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.65 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 49.1 mt-10 -63.3 -44.22 95.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.665 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.26 -36.21 83.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.356 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 39' ' ' ILE . 83.0 mt -62.22 -47.26 93.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.127 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -64.93 -45.66 84.88 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.174 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.49 -33.89 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.808 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -76.23 -43.0 44.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.063 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -68.04 -37.11 80.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.668 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.87 -31.87 68.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.3 -32.46 70.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -77.71 -31.16 52.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.703 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.063 -178.541 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.808 0.337 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.91 97.53 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.358 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 110.771 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -64.68 -45.28 87.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.49 -28.97 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.012 0.434 . . . . 0.0 110.424 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.93 -46.88 88.03 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -65.34 -36.32 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.442 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.6 -41.3 98.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.723 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.56 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.949 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.61 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 71.9 t -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.395 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.465 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 64.8 tt0 -66.44 -43.99 84.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.569 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.15 -37.01 81.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.9 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.79 -37.05 83.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.19 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.7 mt-30 -59.57 -43.55 93.59 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 70' ' ' GLN . 10.1 mpt_? -65.81 -39.87 91.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.126 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.34 -48.28 82.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.841 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -61.5 -43.28 99.15 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.26 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.14 -38.54 91.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.86 87.87 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.06 -41.95 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.596 0.236 . . . . 0.0 111.086 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.52 -32.66 74.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.942 0.401 . . . . 0.0 110.696 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -84.46 -0.41 52.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.869 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.61 15.45 70.91 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.138 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.602 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 16.1 t0 -83.47 94.28 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.219 0.533 . . . . 0.0 110.558 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -31.46 57.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.334 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.474 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -67.43 -30.68 70.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.477 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 78.6 mt -59.08 -46.69 87.64 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.459 -176.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.12 -46.24 85.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 110.731 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 11.3 mm100 -68.69 -46.84 67.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.491 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.76 -32.56 72.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -67.69 -40.9 84.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.792 0.33 . . . . 0.0 110.454 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 56.9 mm-40 -64.14 -38.15 90.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 68.0 mm-40 -62.06 -41.23 97.92 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.09 -46.55 86.87 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 31.6 tt0 -61.47 -46.82 88.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.354 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 97.0 mt-30 -63.67 -38.99 93.2 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.88 0.371 . . . . 0.0 111.153 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.69 76.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.247 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.77 -41.76 98.12 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.06 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.73 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.6 mm-40 -60.66 -41.55 95.23 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 74.3 mmtt -67.27 -44.41 79.41 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.648 0.261 . . . . 0.0 111.309 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.76 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -59.09 -43.25 91.81 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.877 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 21.1 mm-40 -60.14 -43.12 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.233 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.28 -40.11 71.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.571 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 CA-C-O 120.879 0.371 . . . . 0.0 111.424 -178.877 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--O 1.235 0.311 0 CA-C-O 121.231 0.538 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.6 -44.63 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -68.48 -34.63 76.27 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.316 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 34.7 tt0 -65.74 -35.77 81.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.764 0.316 . . . . 0.0 110.645 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.5 p -85.19 -19.78 31.19 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.21 0.529 . . . . 0.0 109.949 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.37 -44.71 10.75 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -55.07 -46.63 75.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 122.55 0.34 . . . . 0.0 110.816 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 42.1 mm-40 -61.82 -44.99 95.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.422 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.25 -48.25 82.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.265 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.57 -48.31 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.58 -46.46 86.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.04 -36.06 77.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.63 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 84.8 t80 -66.13 -39.85 90.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.07 0.462 . . . . 0.0 110.322 178.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -64.2 -43.77 94.0 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 23' ' ' ILE . 31.5 tpt180 -64.08 -34.74 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.008 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 50.9 tp -59.13 -39.08 81.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.85 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.1 ttp180 -67.84 -35.89 79.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.307 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.52 -30.17 70.89 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.223 0.535 . . . . 0.0 110.414 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.443 ' CD1' HG21 ' A' ' 35' ' ' VAL . 79.0 mt -75.91 -34.42 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -69.6 -37.23 76.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.784 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.06 -32.94 71.41 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.959 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -87.61 -7.44 57.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.928 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.2 29.37 68.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.601 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -85.3 80.41 9.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.162 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 m-20 -56.3 -28.73 59.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.799 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.48 -50.37 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.03 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -75.23 -32.25 61.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -59.91 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.479 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 45.2 mt-10 -57.29 -46.25 83.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.79 0.329 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -67.01 -41.61 86.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.133 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.3 t -71.42 -36.24 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.4 mt -59.53 -38.86 82.13 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.527 0.203 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.4 mt-10 -64.68 -44.73 89.39 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.571 177.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 14.3 tp10 -62.2 -41.76 98.66 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.59 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 35' ' ' VAL . 41.3 mm -60.06 -49.18 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.5 tt0 -58.12 -39.33 78.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 46.4 mt-10 -70.4 -35.14 73.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.5 mt -65.25 -36.97 85.77 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.7 mt -60.86 -43.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.297 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 73.9 mm-40 -64.51 -44.45 90.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 89.3 mttt -62.16 -39.0 91.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -76.39 -44.6 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -63.0 -36.61 84.12 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.95 -32.75 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.533 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.6 -33.1 64.44 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -72.07 -30.2 64.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.192 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.514 -0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 178.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 120.477 0.179 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.81 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.42 96.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.488 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.99 -33.53 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.797 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -63.94 -39.99 95.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.74 -43.49 99.17 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.95 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.7 -40.57 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.981 0.42 . . . . 0.0 110.775 176.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.63 -37.64 82.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.693 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -62.54 -39.18 92.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' GLY . 73.6 t -65.29 -38.58 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.42 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -65.37 -45.17 85.17 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.082 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.87 91.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.389 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.4 -43.07 95.6 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.779 0.323 . . . . 0.0 110.221 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -64.85 -35.59 81.61 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -40.97 91.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.45 -47.84 80.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.171 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -63.57 -40.36 96.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.272 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' HG3' ' HE2' ' A' ' 81' ' ' LYS . 7.8 tp10 -63.15 -34.38 77.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.536 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.21 96.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.946 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 mm -60.39 -41.45 87.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 110.349 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.52 -37.14 86.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 77' ' ' GLU . 67.0 mttm -83.4 -7.45 59.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.797 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.8 25.38 75.23 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.605 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.42 96.46 10.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 -176.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -72.51 -32.16 65.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -58.82 -48.4 81.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.208 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.1 m -69.14 -29.81 67.92 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 91.7 mt -59.68 -48.21 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -175.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.05 -46.66 87.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 111.273 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.03 -46.19 65.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.943 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.32 -34.41 76.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.761 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.36 -41.88 97.79 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 109.841 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -44.93 91.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.836 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.83 -36.87 82.44 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.914 0.388 . . . . 0.0 110.738 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.57 -45.21 95.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.873 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 30.2 mt-10 -61.83 -46.2 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -67.92 -35.78 79.03 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.489 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -68.63 -43.18 76.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.004 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.18 -45.0 96.39 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.367 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 93.0 mt-30 -60.45 -39.36 87.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.959 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.09 -40.04 71.78 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 97' ' ' ALA . 92.6 mt -59.77 -47.79 90.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.912 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -58.98 -45.0 91.67 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.75 -44.92 92.07 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.556 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.29 -43.32 95.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -177.293 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.578 ' HG3' HD11 ' A' ' 49' ' ' LEU . 16.8 tppt? . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 49' ' ' LEU . 3.6 mm? -49.17 -53.71 19.79 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -63.02 -45.63 91.44 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.119 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 12.8 mm100 -60.8 -46.5 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.3 p -65.35 -26.36 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -70.67 -52.19 16.81 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 26.9 m-20 -55.4 -44.9 76.59 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.021 176.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 37.8 mt-10 -61.68 -41.5 97.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.545 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.85 -42.73 98.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 10' ' ' GLY . 73.0 t -61.31 -44.24 98.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.286 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -57.28 -45.59 83.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.32 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB1' HG12 ' A' ' 39' ' ' ILE . . . -68.13 -40.21 82.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.36 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 91.5 t80 -65.36 -43.77 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.301 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.19 -41.38 94.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.048 0.451 . . . . 0.0 109.787 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' HG12 ' A' ' 23' ' ' ILE . 52.5 ttt180 -63.14 -35.21 79.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.884 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 75' ' ' PHE . 47.6 tp -59.68 -41.08 89.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.304 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -67.04 -36.74 82.74 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.932 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 50.9 mt-10 -68.46 -30.06 68.84 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.686 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 19' ' ' ARG . 40.4 mm -73.81 -34.83 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -69.99 -37.65 75.79 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.824 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 22' ' ' GLU . 69.3 m-20 -61.4 -32.66 72.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.299 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 71.9 mmtt -89.01 -5.29 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.418 -175.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.94 65.87 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.825 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.27 103.1 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.463 0.649 . . . . 0.0 109.67 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.8 -42.41 60.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.446 -172.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.78 -34.98 72.36 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.566 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -70.04 -29.85 66.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.367 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.04 -41.48 83.31 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.556 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.08 -38.85 90.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.094 0.473 . . . . 0.0 110.065 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.71 -41.19 68.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.954 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG21 HG13 ' A' ' 23' ' ' ILE . 72.0 t -72.14 -45.56 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 55.0 mt -61.0 -35.94 78.16 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.435 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.4 tt0 -64.39 -45.27 88.41 Favored 'General case' 0 N--CA 1.428 -1.532 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.028 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.95 -37.41 87.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.961 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG12 ' HB1' ' A' ' 16' ' ' ALA . 78.2 mt -63.54 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.542 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.2 mt-10 -57.21 -37.92 72.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.338 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 45.4 mt-10 -63.19 -45.59 91.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.066 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.09 -38.6 79.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.987 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.6 mt -63.35 -46.97 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.42 -44.16 88.24 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.02 -34.73 75.3 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -76.81 -41.22 45.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.864 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -69.59 -36.53 76.33 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.389 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -58.46 -30.43 66.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.834 0.35 . . . . 0.0 111.317 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.578 HD11 ' HG3' ' A' ' 5' ' ' LYS . 59.3 mt -63.48 -33.27 75.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.485 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.89 -30.63 40.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.678 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.47 0.552 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.782 177.825 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 41.5 tt0 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.792 0.33 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.39 -37.38 83.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.27 66.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.733 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.08 -42.62 80.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.7 mm100 -65.68 -42.8 90.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.938 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.59 -35.53 91.96 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.663 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.61 -42.62 97.16 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.979 0.418 . . . . 0.0 110.635 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 71' ' ' LEU . 65.7 mt-30 -62.45 -43.13 99.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.082 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -61.25 -38.09 85.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.62 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -65.46 -40.32 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.512 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.04 -37.08 80.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.187 0.517 . . . . 0.0 110.565 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 67' ' ' GLN . 7.6 mp -69.08 -42.67 75.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -67.05 -40.2 87.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.603 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 6.3 tp-100 -63.76 -36.83 85.17 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -63.91 -39.31 93.88 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.184 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 79' ' ' ILE . 86.6 t80 -60.17 -45.15 94.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.822 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -58.69 -44.65 90.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 40.8 mt-10 -62.73 -35.65 80.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.088 0.47 . . . . 0.0 110.145 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.89 69.81 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.481 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.532 HD11 ' CE2' ' A' ' 75' ' ' PHE . 59.7 mt -74.11 -41.09 51.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.409 0.623 . . . . 0.0 109.418 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.96 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.578 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -89.63 -1.64 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.71 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.25 26.7 74.06 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.408 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.624 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.6 t70 -93.05 97.2 10.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.123 0.487 . . . . 0.0 110.04 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.15 -27.99 59.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.031 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.98 -50.36 73.71 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.116 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.2 m -67.52 -30.61 70.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.566 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 84.7 mt -59.18 -47.42 85.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.547 0.213 . . . . 0.0 111.204 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -64.82 -36.97 86.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -67.72 -45.5 74.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 93' ' ' GLU . 88.2 mt -68.12 -31.36 70.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.463 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 57.6 mt -65.27 -38.54 90.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.889 0.376 . . . . 0.0 110.028 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.49 -47.03 85.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.919 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' OE1' ' HG ' ' A' ' 71' ' ' LEU . 8.5 pt-20 -72.92 -33.63 66.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.759 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.21 -47.23 77.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.716 0.293 . . . . 0.0 110.775 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.56 -46.06 91.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.582 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.04 -39.5 90.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.82 0.343 . . . . 0.0 111.256 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.496 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.75 -45.22 68.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.72 -45.37 94.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.19 -40.65 94.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.14 -41.13 82.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.533 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 97' ' ' ALA . 97.1 mt -61.93 -46.8 95.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.07 -40.34 89.18 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.516 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.68 -42.97 98.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.46 -44.14 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.957 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -175.853 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm . . . . . 0 C--O 1.235 0.324 0 CA-C-O 121.253 0.549 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.55 -54.44 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.857 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -63.91 -39.73 94.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.733 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 63.3 mm-40 -60.03 -46.39 89.67 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.942 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -65.66 -29.0 69.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 111.486 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -71.43 -51.76 15.61 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 24.1 m-20 -58.5 -42.43 87.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.197 . . . . 0.0 111.393 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 59.3 mm-40 -61.55 -40.43 94.68 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.989 0.423 . . . . 0.0 109.96 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.18 -43.48 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.648 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 10' ' ' GLY . 81.3 t -60.17 -43.27 92.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.377 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 73.7 mt-30 -58.11 -45.66 86.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.343 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.17 93.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.848 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.25 -41.53 99.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.62 -32.93 73.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -70.4 -35.52 73.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.8 -45.88 90.94 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.307 -177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.545 ' HG2' ' OD2' ' A' ' 25' ' ' ASP . 60.1 ttt180 -66.59 -39.47 88.43 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 119.831 -0.747 . . . . 0.0 111.83 -178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.2 -50.86 71.42 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -55.66 -36.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -67.91 -47.44 68.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.788 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.545 ' OD2' ' HG2' ' A' ' 21' ' ' ARG . 63.6 m-20 -62.82 -22.1 66.39 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.44 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -93.69 -1.66 54.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.017 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.32 27.96 58.54 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 113.938 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.54 81.06 3.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.616 0.722 . . . . 0.0 111.569 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.83 -26.79 59.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.726 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 13.2 m-20 -64.68 -49.56 70.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.723 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 t -75.63 -31.59 59.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.87 0.367 . . . . 0.0 110.421 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.5 tp -60.03 -46.64 88.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.611 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 15.6 pt-20 -60.21 -40.25 89.46 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.023 0.439 . . . . 0.0 110.802 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -65.45 -40.98 93.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.439 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 39' ' ' ILE . 65.7 t -67.79 -33.73 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.97 -37.4 79.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.383 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.3 -37.04 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.924 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 28.7 mm-40 -66.82 -45.32 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.023 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 43' ' ' ILE . 68.7 mt -61.79 -48.32 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.6 mt-10 -60.98 -36.72 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.671 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.81 -39.09 87.6 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.984 0.421 . . . . 0.0 110.658 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 99.2 mt -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.355 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.9 mt -61.57 -44.58 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.265 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 13.8 mm100 -62.56 -47.17 85.04 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.214 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.0 -35.19 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.211 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -75.94 -43.72 43.5 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.044 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -65.83 -36.29 83.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.771 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 15.1 mm100 -58.36 -30.65 66.92 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.63 -29.65 66.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.079 0.466 . . . . 0.0 110.254 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.45 -29.84 52.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.833 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.704 0.288 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.8 -37.67 76.37 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.332 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 88.2 tttt -70.06 -39.18 75.83 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.096 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -65.65 -39.89 91.88 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.49 -34.69 90.18 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.997 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.69 -40.52 97.38 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.139 0.495 . . . . 0.0 109.723 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.644 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 mm-40 -65.34 -42.11 93.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.261 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.38 -38.22 83.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.093 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 65' ' ' GLY . 92.9 t -67.17 -37.9 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.592 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.12 -43.18 78.97 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.476 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 69.8 mt -60.99 -40.14 92.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.716 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.78 -38.33 86.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.79 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 56.1 mt-30 -66.36 -35.88 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.022 0.439 . . . . 0.0 110.131 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.44 -38.17 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.597 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.83 -49.22 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.36 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' HD13 ' A' ' 36' ' ' LEU . 28.0 ttt180 -65.98 -35.88 81.78 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.085 177.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.54 -37.19 82.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.34 88.15 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.898 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.1 -42.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 120.612 0.244 . . . . 0.0 110.904 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -64.0 -35.86 82.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.1 3.14 52.8 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.437 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.25 13.36 70.29 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 121.104 -0.57 . . . . 0.0 114.146 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -80.67 96.36 6.87 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.052 0.453 . . . . 0.0 110.419 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -74.58 -34.84 62.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.03 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.27 -48.4 78.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.875 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -65.91 -29.63 70.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.898 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.8 mt -59.34 -47.46 85.32 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.454 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.22 -46.37 85.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 111.401 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.59 -45.42 75.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.52 -33.46 74.17 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 21' ' ' ARG . 54.6 tp -62.85 -44.79 95.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.11 -38.6 91.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.36 -38.39 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.988 0.423 . . . . 0.0 110.124 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.64 -43.58 98.58 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 11.5 tp10 -60.53 -45.05 95.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.925 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.68 -42.89 97.96 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 111.206 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.77 -39.08 73.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.036 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.77 -47.06 86.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.857 0.36 . . . . 0.0 110.286 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 84.6 mm-40 -62.51 -32.92 73.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.504 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -70.73 -43.06 69.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.203 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 97' ' ' ALA . 93.3 mt -60.63 -44.64 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.469 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.23 -44.07 83.47 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.223 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.0 -47.18 78.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.453 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.45 -42.68 82.7 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.257 0.551 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.98 -45.51 20.16 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -67.18 -40.59 86.57 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.641 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.08 -47.4 84.85 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.928 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 46' ' ' HIS . 18.5 p -65.5 -21.08 66.59 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.019 0.438 . . . . 0.0 111.456 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.04 -48.72 8.14 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -56.42 -41.46 76.43 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 122.595 0.358 . . . . 0.0 110.417 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.71 -47.5 85.98 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.333 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.72 -45.77 92.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.67 -48.36 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.198 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.81 -38.76 79.33 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 111.639 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.32 72.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.839 0.352 . . . . 0.0 110.74 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -67.23 -43.45 81.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.52 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.17 -38.33 90.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 109.935 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -69.35 -34.91 75.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.267 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.12 -41.15 92.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.179 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HG3' HD21 ' A' ' 91' ' ' LEU . 67.8 ttt180 -68.34 -40.18 81.65 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.32 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 32.5 mm-40 -60.82 -50.7 72.39 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 HG21 ' A' ' 35' ' ' VAL . 83.5 mt -58.91 -33.91 51.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.09 175.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.28 -47.69 67.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.618 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.5 -23.66 66.95 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.767 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 68.9 mttm -83.42 -4.75 58.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.33 28.17 64.15 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 114.34 0.496 . . . . 0.0 114.34 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.04 85.09 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.477 0.639 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -56.1 -30.96 62.8 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.649 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -66.25 -49.93 65.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.3 t -73.77 -35.27 64.95 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.16 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.83 -43.44 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.958 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.45 -43.8 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.19 -37.1 83.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.1 t -70.24 -34.25 57.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.459 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 94.3 mt -60.63 -36.53 78.86 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.17 -41.99 96.89 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.259 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.1 mm-40 -64.09 -44.68 91.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 35' ' ' VAL . 38.7 mm -61.97 -49.27 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.098 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 44.7 mt-10 -57.81 -41.24 81.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.879 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -41.12 75.66 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.097 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.4 mt -65.11 -35.75 82.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.773 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.9 mt -62.48 -46.73 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.639 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 71.5 mm-40 -62.78 -46.39 88.22 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.616 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.121 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.416 ' HB2' ' HB ' ' A' ' 9' ' ' THR . 83.4 t60 -76.84 -42.48 40.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 8.0 tmm_? -65.68 -35.82 81.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.203 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 99.3 mt-30 -58.14 -34.73 70.58 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.096 0.474 . . . . 0.0 111.379 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.47 -32.72 73.76 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.26 0.552 . . . . 0.0 110.061 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -74.49 -30.53 61.87 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.38 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 48' ' ' GLN . 38.4 m-20 . . . . . 0 CA--C 1.512 -0.512 0 CA-C-O 121.221 0.534 . . . . 0.0 110.075 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 32.9 tt0 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.12 99.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -38.45 88.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.08 97.49 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.554 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.3 mt-30 -67.41 -35.3 79.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -60.78 -47.36 91.61 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.862 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.24 -43.3 92.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.022 0.439 . . . . 0.0 110.53 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.73 -42.9 99.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.633 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.94 -39.38 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 92.2 t -65.75 -43.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.805 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 46.8 mt-30 -63.5 -42.75 98.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.85 -39.75 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.38 -39.04 85.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 97.0 mt-30 -59.71 -44.68 93.61 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -63.88 -39.18 93.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.077 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.99 -48.88 72.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 76' ' ' ARG . 5.1 tpt180 -61.09 -46.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.899 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.8 tt0 -61.02 -35.76 77.72 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.58 69.05 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.851 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.3 mt -73.4 -38.87 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -66.43 -35.51 80.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 34.8 mmtp -85.12 -5.25 59.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.672 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.22 25.32 74.63 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.196 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.62 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -90.29 98.74 11.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.901 0.382 . . . . 0.0 110.408 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -74.91 -25.7 59.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.319 -176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.53 -49.63 74.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 m -67.12 -33.3 75.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.023 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 90.2 mt -61.95 -48.4 80.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.18 -48.07 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.751 0.31 . . . . 0.0 111.828 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.07 -43.99 73.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.89 -35.59 78.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.407 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 21' ' ' ARG . 51.1 tp -61.61 -45.15 95.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 110.621 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.09 -38.74 86.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.5 -36.21 76.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.134 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.12 -44.53 95.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.196 0.522 . . . . 0.0 109.942 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 5.2 tm-20 -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.191 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tp60 -69.86 -38.55 76.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.133 0.492 . . . . 0.0 110.598 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.43 -32.24 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.216 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.2 tt -68.64 -39.51 80.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.9 mm-40 -63.0 -30.13 71.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.274 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 99.3 mttt -71.92 -44.21 64.04 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 110.471 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 84.0 mt -67.72 -44.98 85.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.412 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -59.26 -38.15 79.35 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.251 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.44 -46.3 90.54 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.347 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.9 mt -67.43 -38.29 84.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.787 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.008 0.432 . . . . 0.0 111.304 -179.009 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -47.75 -45.38 29.0 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.515 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -67.24 -44.57 79.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.703 0.287 . . . . 0.0 111.361 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 98.7 mt-30 -64.35 -30.21 71.26 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -83.25 -17.94 40.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.88 -41.35 12.66 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.22 -40.49 81.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.493 -0.354 . . . . 0.0 110.739 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 11.5 mm-40 -63.4 -46.94 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.349 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.26 -42.61 98.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.054 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.97 -46.48 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.578 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -58.01 -45.34 87.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.589 178.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.28 -36.22 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.527 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 83.4 t80 -64.49 -39.03 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.093 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.243 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 34.6 mmt180 -64.31 -34.14 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.831 177.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 35.8 tp -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.015 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 4.8 mmm180 -66.0 -44.97 83.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.04 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.09 -53.54 56.54 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 28' ' ' ASP . 90.4 mt -61.34 -37.36 77.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.395 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -70.26 -48.33 57.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.892 0.377 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -62.06 -24.96 67.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.183 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -91.36 4.48 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.389 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.26 28.61 61.89 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 114.648 0.619 . . . . 0.0 114.648 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 23' ' ' ILE . 16.6 t0 -87.43 82.23 7.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.602 0.701 . . . . 0.0 110.185 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.84 -34.29 65.28 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.57 -48.39 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.69 0.281 . . . . 0.0 111.597 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -74.03 -31.32 62.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.037 0.446 . . . . 0.0 110.23 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.6 tp -60.63 -42.49 97.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.049 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.99 -40.97 86.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.071 0.462 . . . . 0.0 110.472 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.63 -45.07 95.42 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.116 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.2 t -68.03 -36.9 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.577 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.4 mt -60.03 -40.61 89.94 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 110.633 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -66.58 -38.52 87.24 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.443 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.0 tt0 -67.33 -39.32 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.185 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.8 mm -59.17 -47.41 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 44.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.343 178.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.45 -36.53 73.99 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 90.8 mt -68.09 -36.36 79.66 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.221 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -60.7 -42.49 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.652 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 94.1 mt-30 -62.99 -47.6 82.46 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -64.01 -35.21 79.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 111.753 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.73 -44.21 34.22 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.413 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -70.54 -39.95 73.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 73.9 mm-40 -59.87 -32.39 70.67 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.6 -30.29 71.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.347 0.594 . . . . 0.0 110.133 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -78.93 -33.98 44.96 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.33 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 N--CA 1.467 0.425 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -176.351 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 C--O 1.239 0.524 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.61 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.83 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.46 -45.23 94.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.77 -30.14 70.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.423 . . . . 0.0 110.456 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.48 -48.4 68.87 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.0 -39.93 95.23 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -38.84 90.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.005 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -64.34 -39.25 93.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.028 0.442 . . . . 0.0 110.103 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' GLY . 86.9 t -67.88 -38.95 80.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.091 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.23 -43.8 90.29 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.638 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -39.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.537 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.9 -42.09 98.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.32 -38.31 86.39 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.142 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -70.22 -41.25 73.84 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -61.46 -49.04 78.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.93 95.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.506 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.62 -34.52 78.02 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.086 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 -32.51 74.15 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.615 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -71.71 -36.41 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -67.32 -36.8 82.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.563 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.25 -5.86 59.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.342 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.69 27.53 73.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.879 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -91.25 96.83 10.77 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 109.988 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.37 -29.77 62.85 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.375 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.33 -50.08 74.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.26 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.6 p -68.86 -30.4 68.91 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.3 mt -59.77 -48.83 80.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -176.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -45.91 89.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -67.23 -45.95 75.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.785 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.17 -36.82 77.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.712 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.31 -45.01 95.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.454 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 51.0 mm-40 -62.27 -40.53 96.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 110.059 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.87 -38.41 91.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.36 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.78 -46.17 91.54 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.8 -43.43 98.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.587 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 75.5 mm-40 -68.11 -40.59 82.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -177.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.07 -39.69 75.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.233 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.7 -46.64 88.81 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.12 0.486 . . . . 0.0 110.04 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.82 -33.49 74.23 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.483 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.5 mmtt -71.94 -41.4 67.86 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 97' ' ' ALA . 88.5 mt -60.53 -45.16 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.647 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 102' ' ' ARG . 19.4 ttt180 -65.17 -30.99 71.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -73.32 -30.23 63.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.08 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 84.8 mt -74.37 -25.86 59.76 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.25 0.547 . . . . 0.0 109.619 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.979 175.48 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 N--CA 1.443 -0.813 0 N-CA-C 111.378 0.14 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 pp -53.65 -42.53 67.95 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 120.201 -0.599 . . . . 0.0 112.078 176.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -62.66 -46.31 88.8 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.991 0.424 . . . . 0.0 110.58 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 55.5 tp60 -61.14 -47.68 85.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.578 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -65.41 -26.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.859 0.361 . . . . 0.0 111.386 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -73.28 -52.23 8.99 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.26 -39.74 83.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.55 0.214 . . . . 0.0 111.353 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.5 mt-10 -62.14 -42.21 99.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 110.082 176.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.596 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' GLY . 73.3 t -60.55 -46.33 95.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 110.185 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.667 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 72.9 mm-40 -57.82 -46.8 84.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.211 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.73 81.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.755 0.312 . . . . 0.0 111.04 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.29 -40.05 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 0.0 109.882 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.88 -41.87 98.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.732 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 16.5 mmt180 -66.63 -34.84 78.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.205 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.39 -39.4 93.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.977 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HD2' HD21 ' A' ' 91' ' ' LEU . 5.4 tpt180 -63.99 -43.26 96.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.355 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 36.2 mt-10 -60.94 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.126 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 19' ' ' ARG . 50.9 mm -56.91 -36.3 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -68.0 -47.54 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.774 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.77 -25.31 66.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 64.7 mttm -91.42 0.42 57.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.22 28.94 55.5 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 116.329 -0.396 . . . . 0.0 113.955 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -90.47 87.24 6.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 117.392 0.596 . . . . 0.0 110.885 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.39 -31.75 62.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.399 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.29 -49.5 60.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.975 0.417 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -75.09 -32.66 61.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.054 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 27.1 tp -60.5 -42.07 95.59 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.822 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.3 -40.19 81.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.736 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.86 -44.71 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.2 -35.16 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.294 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 9.6 tp -61.57 -36.91 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.898 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.4 -40.24 81.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 6.3 tp10 -63.18 -42.71 99.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.527 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.54 ' O ' HG12 ' A' ' 43' ' ' ILE . 63.5 mt -65.44 -46.96 88.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.645 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.12 -42.38 80.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.694 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.61 -34.31 75.54 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.055 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 79.4 mt -65.26 -34.29 78.01 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 39' ' ' ILE . 46.5 mm -60.48 -46.62 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.779 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -62.97 -43.02 99.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.51 -36.01 82.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.338 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.07 -43.4 29.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 109.637 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -60.33 -43.82 96.06 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.016 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -58.2 -43.53 87.65 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.4 mt -63.48 -28.51 70.01 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.846 0.355 . . . . 0.0 111.67 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -78.56 -36.78 44.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 . . . . . 0 N--CA 1.47 0.561 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -175.737 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 120.972 0.415 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.38 96.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.43 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.6 94.44 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 27.7 mtpp -62.0 -44.11 97.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.22 -30.69 71.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.199 0.523 . . . . 0.0 109.812 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.53 -47.78 83.97 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.775 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -62.96 -39.15 93.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.773 0.32 . . . . 0.0 110.73 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 97.5 mt-30 -61.85 -43.61 98.5 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.629 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -65.04 -38.1 89.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.162 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.1 -42.48 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 64.6 tt0 -66.02 -43.64 87.02 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.116 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.424 HD13 ' HG3' ' A' ' 93' ' ' GLU . 57.9 mt -62.85 -41.28 99.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.555 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.14 -38.47 88.21 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 5.5 tp-100 -62.35 -44.11 97.24 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.626 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 29.5 mmm180 -63.86 -39.01 93.21 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.223 0.535 . . . . 0.0 109.988 176.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.27 -47.42 86.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.37 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -60.28 -44.15 95.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.677 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 39.1 mt-10 -62.29 -34.12 75.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.008 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.79 92.74 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.067 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.4 -35.63 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.934 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.01 -37.23 84.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.066 0.46 . . . . 0.0 109.807 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.72 -0.64 57.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.899 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.58 16.7 65.83 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.354 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -89.95 75.98 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.405 0.621 . . . . 0.0 111.733 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 87' ' ' LEU . 99.9 mttt -57.34 -22.93 45.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.709 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.09 -44.43 96.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.033 0.444 . . . . 0.0 110.01 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 m -69.92 -31.59 69.44 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.29 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 84' ' ' LYS . 73.9 mt -60.29 -42.39 95.36 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.955 -177.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.65 -47.44 84.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -70.23 -45.89 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.469 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 98.8 mt -65.92 -34.67 78.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.311 -178.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.484 HD21 ' HD2' ' A' ' 21' ' ' ARG . 26.6 tp -69.67 -38.74 77.17 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 32.8 tt0 -62.12 -44.45 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' HG3' HD13 ' A' ' 71' ' ' LEU . 14.1 tp10 -63.61 -38.99 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.901 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 72.8 mt -63.96 -44.46 92.73 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 51.4 mt-10 -60.64 -45.32 94.53 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.992 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 47.5 mt-30 -67.92 -38.54 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.0 111.123 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.32 -40.94 77.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.089 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.0 -42.5 98.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.18 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.3 mm-40 -61.77 -37.8 85.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.269 178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.91 -44.82 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 97' ' ' ALA . 89.4 mt -61.36 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.345 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.436 ' HD2' HG21 ' A' ' 14' ' ' VAL . 3.2 mtp180 -58.68 -42.49 88.62 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.429 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -42.6 93.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.875 0.369 . . . . 0.0 111.025 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.68 -34.82 67.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.367 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.357 0 CA-C-O 120.904 0.383 . . . . 0.0 111.237 -179.243 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt . . . . . 0 C--O 1.232 0.139 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.74 -54.08 32.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.834 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -64.57 -39.07 93.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.45 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.97 -45.78 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.91 -23.97 66.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.993 0.425 . . . . 0.0 111.245 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.43 -53.08 9.11 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.42 -33.85 71.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.92 -46.38 89.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.463 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.96 -41.11 95.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.587 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.3 t -63.35 -47.42 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.38 -44.96 84.89 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.5 81.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.559 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 71.7 t80 -69.4 -39.66 77.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.181 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.8 mt-30 -65.24 -34.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.355 0.598 . . . . 0.0 109.415 178.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -69.4 -35.7 76.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.295 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HB2' HD11 ' A' ' 39' ' ' ILE . 44.3 tp -61.67 -36.08 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.452 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HD2' HD21 ' A' ' 91' ' ' LEU . 6.9 tpt180 -60.81 -47.19 87.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.232 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.03 -52.11 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.931 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 ' OG ' ' A' ' 31' ' ' SER . 49.1 mm -56.12 -39.03 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.17 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -69.63 -48.0 61.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.781 0.324 . . . . 0.0 110.65 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.15 -21.3 64.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.488 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -80.68 -4.94 56.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.486 0.184 . . . . 0.0 111.134 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.69 26.04 52.52 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.569 -0.348 . . . . 0.0 113.764 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 9.3 t0 -93.58 86.24 5.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.432 0.616 . . . . 0.0 110.607 -178.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.447 ' HA ' HD12 ' A' ' 32' ' ' LEU . 36.2 m-20 -58.43 -29.75 66.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.221 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -71.0 -42.53 69.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.903 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 28' ' ' ASP . 94.0 p -73.25 -30.67 63.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.583 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 29' ' ' ASP . 20.8 mt -61.47 -40.64 95.26 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.772 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 12.3 tp10 -59.93 -41.53 92.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.655 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -70.41 -40.92 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.167 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.4 -37.87 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.423 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 49.8 mt -61.97 -34.81 76.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.173 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 51.9 mt-10 -66.99 -38.54 86.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.236 0.541 . . . . 0.0 109.731 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 17.0 tp10 -65.04 -44.71 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.576 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 20' ' ' LEU . 71.0 mt -65.83 -48.28 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.327 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.26 -37.9 75.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.93 -35.43 76.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.874 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 85.5 mt -67.66 -36.04 79.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.734 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.4 mt -61.25 -43.97 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.87 -44.49 76.96 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.247 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.94 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 0.0 111.187 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -74.88 -44.13 50.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -71.41 -30.19 65.79 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.48 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.45 -37.74 76.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.23 0.538 . . . . 0.0 110.188 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.38 -37.47 71.59 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.968 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -69.65 -30.07 67.68 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 110.041 179.424 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.233 0.184 0 CA-C-O 121.075 0.464 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.45 99.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.59 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.48 -44.23 94.98 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -63.51 -38.48 91.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.216 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.08 -41.97 99.64 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.888 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 3.5 m-20 -62.14 -41.0 97.83 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.293 0.547 . . . . 0.0 110.938 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.169 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.79 -38.77 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.124 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -66.27 -41.33 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.032 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 13.1 mm100 -66.44 -41.72 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.211 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.67 -39.37 94.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.52 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.417 ' N ' HD21 ' A' ' 94' ' ' LEU . 72.4 t80 -66.92 -38.6 86.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.524 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 26.9 mt-30 -64.32 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.8 mtt180 -63.66 -37.42 87.26 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -45.41 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.498 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -63.68 -41.88 98.1 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.53 -38.19 89.02 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.413 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.03 83.97 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.31 -44.45 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.76 0.314 . . . . 0.0 111.141 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.91 -36.8 83.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -86.61 -1.74 57.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.809 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 25.54 73.3 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.917 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.9 t70 -92.72 95.56 9.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.098 0.475 . . . . 0.0 109.773 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' A' ' 87' ' ' LEU . 36.8 mtmm -74.75 -32.49 62.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.898 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.22 -41.22 92.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.935 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.8 m -72.33 -30.33 64.65 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.1 mt -59.68 -47.77 84.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.87 -46.73 84.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 38.8 tt0 -68.67 -47.56 66.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.738 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.31 -36.56 84.1 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.583 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.495 HD21 ' HD2' ' A' ' 21' ' ' ARG . 42.7 tp -67.79 -41.49 83.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.974 0.416 . . . . 0.0 109.95 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.43 -40.06 85.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.482 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' GLN . 42.9 mt-10 -67.04 -37.08 83.46 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.873 0.368 . . . . 0.0 110.102 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 72' ' ' PHE . 29.9 mt -63.8 -45.82 87.93 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.801 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.85 -43.78 98.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.474 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 tp60 -69.06 -37.33 78.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.83 83.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 109.666 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.15 -44.07 97.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.638 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.0 -31.1 71.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.444 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 96.9 mttt -72.2 -42.97 65.2 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.56 -47.56 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -60.91 -38.49 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.782 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.17 -46.37 90.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.85 -36.93 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.774 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.64 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.507 0.194 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -49.92 -52.47 33.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.55 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.97 -44.66 95.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.357 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.36 -46.29 90.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.898 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -65.75 -23.43 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.11 -48.69 18.94 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.9 m-20 -58.78 -43.44 90.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.587 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.25 -44.41 97.29 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.8 tp -61.16 -41.49 96.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.703 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 71.7 t -63.22 -42.93 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.721 0.296 . . . . 0.0 110.257 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -58.05 -42.74 86.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.05 -35.96 77.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.587 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 74.0 t80 -63.91 -38.25 90.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.736 177.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 97.1 mt-30 -63.4 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.59 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 90.5 mtt180 -62.88 -36.41 83.2 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 57.9 tp -59.61 -40.42 87.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.47 -177.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.3 mmm180 -66.27 -48.96 68.76 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.195 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.15 -31.26 72.0 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.401 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.728 HG23 ' HB3' ' A' ' 28' ' ' ASP . 93.0 mt -79.62 -40.48 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.592 0.71 . . . . 0.0 109.918 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.75 -47.9 50.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.622 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -62.36 -27.54 69.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.479 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.03 2.38 55.27 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.9 29.5 74.36 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.507 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.728 ' HB3' HG23 ' A' ' 23' ' ' ILE . 14.9 t0 -80.27 102.23 9.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.241 0.543 . . . . 0.0 110.408 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -73.9 -43.34 58.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.372 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.25 -47.97 77.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.92 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 t -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.931 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.1 tp -60.25 -48.22 82.68 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.575 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.94 -46.06 88.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.704 0.288 . . . . 0.0 111.211 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -62.0 -45.83 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 23' ' ' ILE . 58.6 t -67.92 -33.81 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.002 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.3 mt -60.05 -35.79 75.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.62 -38.15 86.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.212 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.2 mt-10 -69.09 -42.1 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.358 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 43' ' ' ILE . 79.6 mt -61.45 -49.02 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.172 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -59.29 -37.61 78.12 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 178.139 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.92 -38.97 92.75 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 94.8 mt -69.21 -35.78 76.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.7 mt -62.7 -41.67 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 78.4 mt-30 -62.35 -45.27 93.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.342 176.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -61.24 -37.4 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.73 -40.64 47.9 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.471 ' NE ' HG22 ' A' ' 43' ' ' ILE . 75.9 mtm180 -66.42 -44.14 83.74 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.933 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -58.42 -40.69 83.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.584 -174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.75 -37.62 82.37 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.092 0.472 . . . . 0.0 110.282 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -73.76 -29.5 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.251 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.591 178.489 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 8.3 tp10 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.641 0.258 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.22 91.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.295 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.405 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.11 -45.08 93.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.196 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 84.5 mm-40 -65.15 -33.1 75.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.91 -49.18 60.3 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.465 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 9.5 m-20 -62.17 -38.93 90.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 176.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -62.21 -42.06 98.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.337 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -62.26 -39.65 93.61 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.946 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 65' ' ' GLY . 87.4 t -66.71 -41.76 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.387 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 85.1 mm-40 -67.6 -38.56 84.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -40.15 94.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.452 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.8 -40.62 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.189 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.35 -41.1 98.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.28 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.36 -41.41 93.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.953 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.48 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.473 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -41.59 92.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.87 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.36 -33.04 70.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.96 74.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.373 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.89 -35.32 71.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -67.82 -32.05 72.33 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.022 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.22 -5.01 59.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.01 22.35 75.83 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.29 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -91.12 98.29 11.67 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.05 0.452 . . . . 0.0 110.799 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -73.47 -28.92 62.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.566 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.79 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.668 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.4 m -67.07 -31.09 71.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.616 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 75.3 mt -60.18 -48.19 82.75 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.34 -45.9 91.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -68.22 -45.91 71.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.974 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.8 mt -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.102 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.3 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.93 -39.93 90.94 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.014 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.0 -35.67 81.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.872 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.6 -40.82 93.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.9 tm-20 -64.12 -43.44 95.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -68.46 -39.62 81.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 111.244 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.77 -42.75 73.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.043 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 10.1 tt -61.37 -41.62 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.253 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 79.2 mm-40 -60.84 -37.83 83.4 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.316 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 mtmm -69.53 -42.12 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.754 0.311 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.86 -47.6 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.423 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -62.22 -40.55 96.49 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.83 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt-10 -60.74 -36.2 78.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.017 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 97.7 mt -69.47 -39.54 77.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 110.56 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 0.0 110.983 -179.462 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.4 tptt . . . . . 0 C--O 1.238 0.452 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 tp -49.96 -53.49 25.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.423 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 54.5 tt0 -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.203 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.3 p -65.01 -21.46 66.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 111.393 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.44 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.75 -47.34 15.07 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 3.6 m-20 -54.91 -45.37 74.75 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.87 175.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.3 mm-40 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.267 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.71 -43.88 97.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.892 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 68.7 t -61.6 -45.51 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.542 177.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 56.8 mt-30 -56.58 -45.62 81.26 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.812 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD2' HD13 ' A' ' 98' ' ' LEU . 83.9 t80 -67.5 -40.14 85.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.779 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.2 mt-30 -62.17 -43.1 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.29 0.567 . . . . 0.0 109.621 177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -64.3 -35.97 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.288 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.81 -39.97 93.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -62.89 -48.4 79.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 mm-40 -62.78 -52.28 63.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.879 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 28' ' ' ASP . 93.2 mt -55.75 -36.32 42.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.838 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -69.18 -48.69 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -63.59 -31.39 72.54 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.79 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 57.3 mttm -87.53 3.6 46.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.77 29.45 73.99 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.032 -0.604 . . . . 0.0 114.164 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.638 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.8 t70 -81.44 103.0 10.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.8 m-20 -70.25 -43.32 70.79 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.948 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -68.8 -47.81 65.17 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -70.18 -33.09 71.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.243 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.8 tp -59.67 -47.25 86.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.216 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 50.9 mt-10 -61.05 -46.49 90.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.052 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.98 -45.58 94.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.613 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 39' ' ' ILE . 59.6 t -63.58 -33.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.407 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.87 -38.87 83.41 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 mp0 -68.63 -37.85 80.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.74 -43.31 84.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 67.7 mt -61.57 -46.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.174 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.51 -34.38 69.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.171 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 59.3 mm-40 -69.16 -40.83 77.93 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.985 0.421 . . . . 0.0 110.684 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.62 -36.83 76.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.181 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.3 mt -61.53 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.367 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.33 -45.43 91.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.102 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.24 -33.9 75.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.85 -43.95 43.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 109.73 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 47' ' ' ARG . 21.7 ttt180 -67.67 -33.21 74.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.626 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.89 -31.75 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.874 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.12 -27.95 61.11 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.418 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -76.83 -26.76 54.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.859 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 N--CA 1.469 0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 111.391 -179.18 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.917 0.389 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.04 -44.49 97.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.352 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.0 86.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.34 -45.5 92.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.841 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.87 -29.6 65.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.853 0.358 . . . . 0.0 110.393 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.83 -48.4 76.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.71 -36.54 84.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.0 110.946 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.13 -43.63 98.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.06 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -64.76 -38.18 90.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.126 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 65' ' ' GLY . 90.7 t -64.64 -45.55 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.5 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.8 -38.95 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.593 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.414 HD13 ' HG3' ' A' ' 93' ' ' GLU . 85.2 mt -65.01 -42.57 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 177.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.08 -41.95 85.47 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.282 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.32 -44.45 95.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.3 -40.24 89.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.451 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.54 -48.62 78.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.422 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.31 -40.02 96.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.238 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.89 -34.71 79.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.37 0.605 . . . . 0.0 109.746 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.34 69.84 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.5 -35.71 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -68.47 -33.96 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.996 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -82.76 -8.25 59.6 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.775 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.46 25.4 74.85 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.209 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.681 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -92.57 98.5 11.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.981 0.42 . . . . 0.0 110.709 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -73.49 -30.88 63.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.441 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.69 -48.56 80.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.698 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 p -71.28 -31.12 67.09 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.608 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.8 mt -60.41 -48.97 79.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 50.2 mt-10 -60.92 -45.94 92.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.806 0.336 . . . . 0.0 111.335 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 89' ' ' GLN . 1.1 tm0? -66.51 -43.59 84.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.32 -34.82 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.266 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.9 tp -66.65 -41.82 87.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 47.0 mm-40 -62.26 -40.24 95.54 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 109.957 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' HD13 ' A' ' 71' ' ' LEU . 13.2 tp10 -68.24 -37.04 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.095 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.3 -45.3 93.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.43 -41.37 97.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.002 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.663 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 32.1 tt0 -69.71 -42.4 74.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.459 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.64 84.61 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.642 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 17' ' ' PHE . 2.9 tt -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -66.91 -29.07 68.85 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.456 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 78.9 mttt -70.33 -44.76 67.54 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.64 -45.63 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.958 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -58.17 -39.94 80.15 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 45.9 mt-10 -60.98 -46.05 92.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.619 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.22 -38.03 75.15 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.86 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.633 0.254 . . . . 0.0 111.546 -178.537 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.0 mttt . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 121.357 0.599 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.68 -51.86 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 7' ' ' ARG . 9.3 tpt180 -63.25 -43.18 98.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.95 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 23.1 tm0? -60.6 -44.87 95.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.019 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -70.8 -22.87 62.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -72.11 -49.66 20.67 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.05 -40.16 80.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.572 -0.314 . . . . 0.0 111.692 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.4 mm-40 -64.15 -42.52 96.72 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.799 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.87 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.036 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.7 t -60.98 -42.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.075 178.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.84 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.23 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.39 83.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.979 0.419 . . . . 0.0 110.36 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -67.48 -38.68 84.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.007 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.51 -38.15 80.66 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.924 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' HG13 ' A' ' 23' ' ' ILE . 8.0 tpm_? -69.57 -35.2 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.71 -42.56 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.871 -1.058 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -67.88 -35.62 78.82 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.65 -37.06 79.37 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.488 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' ARG . 77.8 mt -76.04 -36.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.624 0.726 . . . . 0.0 109.696 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.24 -46.32 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.155 -176.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -61.66 -22.84 65.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.451 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -92.01 3.56 54.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.97 28.39 73.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.223 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.7 t70 -86.53 102.22 13.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.293 0.568 . . . . 0.0 110.531 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.05 -42.55 47.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.304 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.77 -47.42 83.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.989 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 t -73.17 -31.33 64.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 49.9 tp -59.35 -48.25 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.29 -47.17 84.48 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.969 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.84 -46.32 91.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.614 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.01 -34.17 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.927 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.7 mt -59.23 -43.81 92.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.136 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -67.46 -34.87 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 mt-10 -69.92 -43.13 72.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 43' ' ' ILE . 62.7 mt -59.78 -47.91 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.951 177.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 45.9 mt-10 -58.51 -37.23 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.94 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 30.4 tt0 -68.94 -35.99 77.43 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.9 mt -69.21 -36.5 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.155 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.6 mt -60.6 -40.83 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.481 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 69.8 mt-30 -63.7 -44.13 94.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.341 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 65.3 mttm -61.61 -37.51 84.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.773 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -77.25 -44.47 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -67.55 -35.26 78.71 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.623 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -58.66 -34.88 71.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.61 -30.97 70.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.197 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -77.09 -31.48 55.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.064 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 CA--C 1.515 -0.372 0 CA-C-O 121.273 0.559 . . . . 0.0 110.058 178.548 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 121.011 0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.43 97.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.53 -42.35 92.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.1 tptm -63.87 -43.91 94.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.02 -38.62 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.105 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -42.17 99.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.064 178.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.34 -44.42 97.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 110.485 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.8 mm-40 -65.49 -36.07 82.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -62.45 -38.94 91.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -66.41 -38.06 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.754 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.8 mt-30 -69.27 -39.44 78.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.95 -39.94 93.82 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.54 -37.7 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.698 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 79.0 mt-30 -62.59 -38.94 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.8 mmt180 -66.17 -37.69 86.25 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.7 -46.62 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.338 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -61.22 -41.21 96.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.147 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 49.3 mt-10 -65.84 -36.5 83.65 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.914 0.388 . . . . 0.0 110.156 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.62 89.39 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.74 -42.53 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.871 0.367 . . . . 0.0 110.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -68.19 -30.67 69.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.03 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -90.63 0.45 57.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.81 19.65 75.28 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.152 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.505 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -88.46 95.03 10.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.026 0.441 . . . . 0.0 110.002 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 87' ' ' LEU . 16.6 ptpt -76.52 -28.79 56.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.961 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 -49.51 76.95 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.0 m -63.37 -30.86 71.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 84' ' ' LYS . 93.9 mt -60.11 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.331 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 36.6 mt-10 -62.86 -41.62 99.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.929 0.395 . . . . 0.0 111.182 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -66.76 -45.29 79.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.38 -34.4 75.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.43 -43.9 96.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 110.755 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 27.9 mm-40 -68.35 -35.92 78.46 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.195 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.62 -44.2 91.3 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 109.774 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.35 -41.47 97.11 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.42 -46.12 91.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.329 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.68 -42.89 85.82 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.89 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.551 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.32 -45.55 76.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.04 -45.86 91.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -62.02 -41.19 97.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.598 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.0 -36.95 80.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.457 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 97' ' ' ALA . 99.6 mt -61.61 -45.27 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -58.04 -44.49 87.4 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.365 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.93 -41.86 97.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.341 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.06 -38.47 66.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 111.777 -179.755 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.239 0.544 0 CA-C-O 121.273 0.558 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.98 -53.4 13.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.408 ' HG2' ' OD2' ' A' ' 11' ' ' ASP . 66.6 ttt-85 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.335 177.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.516 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 p -64.44 -23.07 67.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.184 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -76.63 -48.65 8.73 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 49.1 m-20 -59.01 -44.98 91.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 122.284 0.233 . . . . 0.0 110.898 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.25 -40.1 95.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.886 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.91 -38.88 83.56 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 102' ' ' ARG . 64.8 t -66.83 -41.44 87.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -60.95 -38.53 86.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.43 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.23 -38.67 85.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.997 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.73 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -64.98 -39.59 93.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.915 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.94 -38.55 82.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -47.63 84.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 47.0 mt-10 -66.54 -52.86 41.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.464 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.42 -34.12 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.84 -44.04 94.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.79 -21.33 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.533 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.2 mttt -90.58 -13.12 35.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.218 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.63 28.81 73.75 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.133 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.27 80.75 3.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.126 0.488 . . . . 0.0 110.664 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 -29.73 45.81 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.459 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -63.42 -50.24 70.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.044 0.449 . . . . 0.0 110.835 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -75.57 -32.83 60.53 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.075 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 1.9 tt -58.99 -48.01 83.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.818 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.73 -40.44 92.38 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 110.879 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.43 -45.12 88.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.027 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -33.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.001 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 92.5 mt -59.84 -34.57 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.244 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -64.83 -39.14 93.09 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.07 -45.7 87.61 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.396 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 43' ' ' ILE . 78.2 mt -64.87 -49.28 80.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.581 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 10.5 tp10 -56.95 -45.23 82.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.5 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 21.2 mm-40 -64.49 -43.84 92.9 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.8 -35.95 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.474 0.175 . . . . 0.0 111.474 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.4 mt -61.47 -46.67 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 79.8 mm-40 -62.04 -45.32 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.602 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 67.2 mttm -67.16 -34.11 76.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -77.16 -44.85 28.77 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 59.4 ttt180 -68.27 -30.31 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.396 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -56.3 -41.34 75.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.932 0.396 . . . . 0.0 110.378 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.33 -28.9 64.41 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -74.37 -40.7 61.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.183 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 2.3 m-20 . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 121.08 0.466 . . . . 0.0 110.828 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 120.503 0.192 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.43 89.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.436 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.791 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.19 -45.64 93.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.407 HE22 HD11 ' A' ' 104' ' ' LEU . 43.2 mt-30 -68.26 -29.99 68.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.86 -48.62 69.77 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.46 -40.97 88.59 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.026 0.441 . . . . 0.0 110.213 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.3 -42.53 99.44 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.579 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.06 -39.78 87.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.935 0.398 . . . . 0.0 109.997 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 89.6 t -67.23 -40.36 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.779 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -62.01 -45.17 94.77 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.712 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.61 -38.48 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.239 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.36 -43.69 96.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.517 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.8 mt-30 -62.3 -42.19 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -64.49 -38.79 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.188 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.4 t80 -60.67 -45.79 92.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.713 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -58.11 -42.2 85.19 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -66.37 -33.93 76.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.93 67.95 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.264 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.9 mt -72.86 -45.48 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.536 0.684 . . . . 0.0 109.281 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -70.19 -33.49 71.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.743 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -94.71 2.54 55.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.41 73.21 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.975 -0.631 . . . . 0.0 114.193 174.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.3 t70 -88.02 96.06 10.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 117.518 0.659 . . . . 0.0 109.304 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -64.53 -41.06 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.591 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.952 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -64.13 -33.39 75.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.3 mt -61.41 -49.65 75.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.117 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 30.0 mt-10 -59.35 -49.24 78.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.954 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.45 -44.86 70.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.5 mt -64.7 -34.33 78.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.057 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 43.4 tp -68.46 -42.28 78.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.229 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 88' ' ' GLU . 31.5 mt-10 -66.13 -36.67 83.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.98 0.419 . . . . 0.0 110.149 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.17 -38.34 90.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.458 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.3 mt -61.94 -40.6 96.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.938 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.5 mt-10 -61.78 -44.67 96.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 78.9 mm-40 -69.0 -44.53 72.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.238 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.1 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.471 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.91 -46.2 90.4 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.356 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -65.03 -32.4 74.1 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.595 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 8.7 mtpm? -71.54 -41.53 69.04 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.738 0.304 . . . . 0.0 111.076 -178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.61 -44.86 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.229 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.566 ' HD2' HG21 ' A' ' 14' ' ' VAL . 67.7 mtp85 -66.36 -35.2 79.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.5 -42.87 99.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.104 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.407 HD11 HE22 ' A' ' 64' ' ' GLN . 98.9 mt -66.83 -40.71 88.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.436 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.486 -179.054 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 mttm . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.7 tp -49.94 -52.94 29.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.468 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -64.73 -44.57 89.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.715 0.293 . . . . 0.0 111.419 176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.681 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -66.44 -20.49 66.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.058 0.456 . . . . 0.0 111.071 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -75.13 -49.08 9.97 Favored Glycine 0 N--CA 1.438 -1.18 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 m-20 -57.82 -41.49 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.592 176.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' HD13 ' A' ' 42' ' ' LEU . 39.4 tt0 -61.76 -44.56 96.66 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.09 -39.64 90.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.2 t -60.88 -45.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.939 0.4 . . . . 0.0 110.095 176.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 86.2 mm-40 -57.43 -45.43 84.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.496 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.81 85.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.042 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.115 0.484 . . . . 0.0 109.764 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -63.67 -37.95 89.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.993 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.11 -35.29 79.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.757 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.49 -39.19 92.67 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.795 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -63.59 -46.4 86.01 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.921 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.7 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 29.6 tt0 -61.19 -51.83 67.38 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 -178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 HD11 HG21 ' A' ' 35' ' ' VAL . 74.6 mt -56.75 -36.52 49.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.821 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -68.14 -47.74 67.24 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.4 -33.45 75.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.942 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.7 ' HD3' ' O ' ' A' ' 22' ' ' GLU . 3.9 mptp? -88.69 -5.18 58.29 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.01 29.88 62.84 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.457 0.543 . . . . 0.0 114.457 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.73 84.58 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.812 0.806 . . . . 0.0 110.759 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.68 -30.39 63.37 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.063 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.69 -47.8 61.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.987 0.422 . . . . 0.0 110.624 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.6 p -65.99 -32.03 73.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.729 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 HD13 ' A' ' 79' ' ' ILE . 41.0 tp -62.12 -43.4 98.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.948 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -58.26 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.741 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.84 -46.07 66.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.311 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.415 HG21 HD11 ' A' ' 23' ' ' ILE . 53.9 t -69.1 -34.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.42 -34.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.384 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 39.3 mt-10 -68.76 -39.33 80.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.776 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 42.4 mm-40 -64.38 -45.45 87.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.985 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 43' ' ' ILE . 82.7 mt -60.46 -48.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.97 -38.99 77.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.395 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 42.8 mm-40 -71.38 -34.97 70.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.844 0.354 . . . . 0.0 110.553 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 59.3 mt -66.31 -37.17 84.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.2 mt -61.13 -42.58 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.43 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.671 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 78.7 mt-30 -63.34 -46.79 84.98 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.984 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 48.0 mtmt -61.57 -34.5 75.7 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.119 0.485 . . . . 0.0 111.235 -177.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.38 -43.66 39.68 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.658 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -65.77 -33.2 75.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.877 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.671 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.4 mt-30 -58.38 -32.79 68.92 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.052 0.453 . . . . 0.0 110.6 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.29 -33.8 67.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.302 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -76.92 -30.93 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.983 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 CA--C 1.51 -0.591 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.634 179.317 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 . . . . . 0 C--O 1.225 -0.199 0 CA-C-O 120.907 0.384 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.4 94.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.92 -38.4 69.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 110.2 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -64.29 -44.52 91.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.382 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -68.11 -40.77 82.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.292 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.67 -38.77 96.44 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.58 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.4 m-20 -62.92 -40.94 99.14 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 117.123 0.461 . . . . 0.0 110.727 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.24 -42.48 96.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.106 0.479 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.56 -38.09 80.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.194 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -66.63 -39.93 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.129 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 9.4 mm100 -61.47 -45.71 93.11 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.046 0.45 . . . . 0.0 109.981 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.66 -37.38 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.07 -43.19 99.26 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.192 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 96.6 mt-30 -60.9 -44.15 97.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.344 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 90.4 mtt180 -63.29 -38.68 92.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.88 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.0 t80 -59.97 -47.12 87.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.829 178.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -58.25 -45.97 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.884 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 43.9 mm-40 -65.47 -33.73 76.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -177.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.11 69.44 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.452 HD13 HD21 ' A' ' 32' ' ' LEU . 92.3 mt -71.2 -37.56 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -65.25 -31.27 72.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.139 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -88.99 -6.62 57.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.583 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.2 27.79 73.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.629 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 14.6 t70 -93.15 102.13 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.845 0.323 . . . . 0.0 110.418 -177.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.2 pttp -72.76 -25.52 61.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.044 0.449 . . . . 0.0 110.599 -175.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 28.3 m-20 -66.56 -48.61 69.1 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.397 -172.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.5 p -71.05 -30.62 66.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.753 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.1 mt -60.78 -46.73 89.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.632 0.253 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 39.9 mt-10 -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.645 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -69.0 -46.29 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.673 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 96.3 mt -66.11 -39.18 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.721 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 52.1 tp -61.1 -44.9 96.65 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.567 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 40.3 mt-10 -62.72 -43.26 99.26 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.16 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.26 -34.47 77.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.241 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.4 mt -63.54 -45.3 91.19 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.0 mt-10 -60.75 -41.72 95.98 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.987 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 76.8 mt-30 -69.19 -44.52 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 111.163 -178.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.83 78.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.99 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.8 -47.48 84.93 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.009 0.433 . . . . 0.0 110.852 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 48.4 mt-30 -64.03 -30.24 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.833 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -72.39 -44.15 62.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.029 0.442 . . . . 0.0 110.208 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.57 -46.51 96.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -58.01 -41.21 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 28.9 mm-40 -68.13 -30.29 69.4 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.13 -43.82 61.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.17 0.51 . . . . 0.0 110.118 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.063 -177.665 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.2 tttp . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.6 -48.66 48.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.173 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -62.29 -46.02 90.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.717 175.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.77 -44.88 96.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.874 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -65.5 -23.97 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.721 0.296 . . . . 0.0 111.25 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -70.35 -52.3 17.86 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -43.44 74.25 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 120.763 0.316 . . . . 0.0 111.365 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.08 -45.02 95.35 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.803 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.53 -44.4 97.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.069 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 10' ' ' GLY . 91.1 t -61.02 -45.55 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.501 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -59.25 -38.3 79.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.21 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.96 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 0.0 110.442 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -64.25 -38.43 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.62 -43.94 97.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -65.43 -34.79 79.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.094 0.473 . . . . 0.0 109.82 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.08 -39.57 86.53 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.959 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.76 -46.61 89.8 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.438 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.11 -52.58 64.31 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.442 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.9 mt -56.71 -40.19 68.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.379 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -68.28 -49.18 62.28 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.553 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.856 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.54 3.81 53.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.712 0.291 . . . . 0.0 111.42 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.7 29.65 58.42 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.3 87.76 5.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 118.357 1.078 . . . . 0.0 112.214 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 m-20 -56.13 -32.8 64.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.65 -47.62 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -74.22 -32.2 62.92 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.194 0.521 . . . . 0.0 109.98 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 31.1 tp -61.08 -42.87 99.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.621 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 37.5 mt-10 -57.86 -46.25 85.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.008 0.432 . . . . 0.0 111.242 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.16 -38.82 92.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.666 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.423 HG21 ' CD1' ' A' ' 23' ' ' ILE . 57.7 t -69.65 -34.97 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.307 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.1 mt -60.78 -35.25 75.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.99 -41.77 90.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.2 tp10 -67.28 -42.52 83.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.159 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 69.5 mt -62.33 -47.61 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.17 -38.6 73.82 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.527 0.203 . . . . 0.0 111.302 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.36 -44.87 86.3 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.734 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.6 mt -62.3 -37.47 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.273 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.2 mt -63.92 -48.04 87.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.465 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.63 -43.0 90.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.502 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.86 -35.65 81.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.621 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -76.54 -41.7 45.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.979 0.418 . . . . 0.0 109.965 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -68.89 -33.53 73.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.102 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.44 70.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 111.099 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.88 -28.27 68.19 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -71.33 -27.36 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.385 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -177.787 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.994 0.426 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.61 95.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.801 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.95 84.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.331 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.14 -43.02 99.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.292 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.38 -30.64 70.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.67 -48.73 64.73 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.57 -38.79 88.82 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.649 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp60 -63.32 -43.57 97.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.069 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -61.38 -40.01 92.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.79 -41.03 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.951 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 9.3 tt0 -67.69 -40.36 84.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.223 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 94.2 mt -61.99 -39.62 92.81 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.53 -41.21 96.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.384 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -64.95 -38.68 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -68.65 -36.64 78.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 79' ' ' ILE . 83.8 t80 -60.98 -49.18 78.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.699 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.418 ' HG2' ' OD2' ' A' ' 80' ' ' ASP . 49.6 ttt180 -65.82 -36.19 82.78 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.613 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 2.6 mm-40 -59.84 -39.71 86.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.34 74.74 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.792 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.422 HD11 ' CE2' ' A' ' 75' ' ' PHE . 95.5 mt -57.14 -45.43 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.245 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' OD2' ' HG2' ' A' ' 76' ' ' ARG . 73.9 m-20 -63.12 -34.02 76.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 109.917 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 31.6 mmtp -88.68 5.11 44.71 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.13 12.81 66.16 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.994 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -83.48 98.91 9.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.27 0.557 . . . . 0.0 111.829 -177.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.28 -31.41 58.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.358 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.47 -49.95 75.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.641 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -66.48 -29.87 70.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.7 mt -58.13 -40.37 81.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.763 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.14 -46.12 89.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.589 0.233 . . . . 0.0 111.383 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.68 -46.2 69.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.713 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.68 -34.88 78.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.903 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.63 -38.36 80.44 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.4 -45.27 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -65.26 -39.53 92.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.364 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.43 -47.79 80.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.591 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.27 90.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.023 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 79.8 mt-30 -63.97 -42.98 97.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.048 0.451 . . . . 0.0 111.32 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.15 73.18 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.632 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.12 -46.93 88.58 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 1.7 mp0 -62.87 -38.63 91.62 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.996 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 73.1 mmtt -70.14 -41.68 73.55 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.549 -176.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.99 -45.89 97.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.21 -39.01 93.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.43 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.2 mt-10 -62.4 -45.9 91.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.627 0.251 . . . . 0.0 111.12 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.28 -42.61 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.832 0.348 . . . . 0.0 111.505 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.908 -178.567 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.64 -53.28 32.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.441 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.3 ttt-85 -64.43 -43.36 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.895 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -58.93 -44.25 91.31 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -68.31 -16.56 63.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.518 . . . . 0.0 110.641 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.76 -50.35 5.3 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.63 -44.36 77.06 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.215 0.531 . . . . 0.0 109.749 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.65 -44.62 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.724 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.37 -40.19 95.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.69 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' GLY . 95.6 t -64.42 -46.9 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.981 0.42 . . . . 0.0 110.45 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 78.6 mt-30 -58.83 -42.85 90.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.026 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.13 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.981 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.71 -38.23 74.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.4 -40.12 96.35 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 21.2 mmt180 -65.16 -35.96 82.74 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.252 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.14 -36.76 78.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.484 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.432 HH21 ' CG ' ' A' ' 25' ' ' ASP . 3.1 mmm180 -65.97 -47.69 73.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 53.5 mm-40 -67.99 -29.97 69.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.256 -176.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.9 mt -76.48 -35.97 27.54 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -72.07 -43.4 64.92 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.664 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' HH21 ' A' ' 21' ' ' ARG . 20.1 m-20 -63.45 -32.69 74.21 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.292 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 47.3 mmtm -89.08 0.49 56.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.274 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.46 29.31 74.92 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 114.408 0.523 . . . . 0.0 114.408 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.71 76.89 4.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.552 0.676 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.51 -28.02 58.82 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.836 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.17 -48.79 69.57 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.434 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -74.1 -32.51 63.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 32.3 tp -60.2 -48.19 82.76 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.921 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.82 -46.1 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.72 -40.15 91.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.9 t -69.85 -34.85 62.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 mt -60.43 -42.92 97.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.206 -0.309 . . . . 0.0 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.81 -39.01 92.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.232 0.539 . . . . 0.0 109.665 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.59 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.4 tt0 -64.66 -44.07 91.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.32 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.4 mm -60.46 -48.97 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.215 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.64 -39.78 81.51 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.391 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -70.08 -35.34 74.12 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.277 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.3 mt -66.39 -36.16 82.16 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.0 mt -61.31 -43.14 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.65 -44.79 92.8 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -63.61 -35.86 81.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.992 0.425 . . . . 0.0 111.245 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.74 -44.61 32.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.287 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -68.64 -32.47 72.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -60.04 -34.78 73.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.982 0.42 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.23 -28.79 61.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.218 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -72.3 -30.3 64.66 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.468 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 . . . . . 0 CA--C 1.512 -0.497 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.805 178.835 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.937 0.399 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.73 93.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.615 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.98 95.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.926 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.59 -42.76 99.32 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.54 -31.29 72.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.683 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.24 -47.5 89.3 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.727 177.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 52.0 m-20 -58.66 -44.81 90.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.939 0.4 . . . . 0.0 110.43 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -62.2 -41.0 97.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.072 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -60.48 -39.92 89.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 65' ' ' GLY . 94.7 t -63.41 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 78.0 mm-40 -65.53 -43.15 90.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.7 -42.14 98.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.451 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -60.55 -45.14 95.0 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.651 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.5 mm-40 -61.56 -44.42 97.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.1 mtt180 -64.03 -34.76 78.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.94 0.4 . . . . 0.0 110.129 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.74 -48.09 78.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.738 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 76' ' ' ARG . 2.2 ttp180 -64.0 -40.24 95.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.382 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 50.5 mt-10 -63.19 -33.38 75.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.058 0.456 . . . . 0.0 110.161 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.44 74.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.8 mt -71.82 -36.74 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -69.19 -37.85 78.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.206 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -84.59 -7.81 59.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.352 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.8 27.82 70.08 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.842 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.48 96.89 10.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -69.86 -32.7 71.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.905 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.534 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.2 m -66.66 -30.09 70.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.47 -49.57 76.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.137 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.13 -45.22 67.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.198 0.523 . . . . 0.0 110.92 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.02 -36.67 78.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.043 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 48.8 tp -63.81 -43.38 96.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 28.5 tp10 -62.27 -45.16 94.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.507 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.59 -34.12 75.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.641 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.9 mt -60.46 -47.32 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.051 0.453 . . . . 0.0 110.093 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 43.4 mt-10 -61.06 -43.27 99.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.725 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 95.7 mt-30 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 0.0 111.249 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.51 71.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.206 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.2 -46.82 88.89 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.952 0.406 . . . . 0.0 110.795 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 96.6 mt-30 -62.44 -30.5 71.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -73.81 -44.37 56.05 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.44 -46.64 94.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.048 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HD2' HG21 ' A' ' 14' ' ' VAL . 46.7 ttt180 -66.2 -31.93 73.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 0.0 109.537 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 33.0 tt0 -67.98 -46.56 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.06 -42.26 60.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.036 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HB3' HD13 ' A' ' 49' ' ' LEU . 97.1 mttt . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.221 0.534 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.4 tp -72.51 -48.72 38.25 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -67.25 -36.95 82.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.526 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.1 -30.85 71.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.504 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -88.27 -18.21 29.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.254 0.55 . . . . 0.0 110.188 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.96 -48.39 6.12 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.84 -37.07 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.715 0.293 . . . . 0.0 110.743 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.78 -45.28 93.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.1 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.53 -39.77 92.27 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.625 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 93.6 t -64.35 -47.19 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.4 -45.26 88.7 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.935 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.5 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.255 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.32 -39.0 88.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.943 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.5 mt-30 -65.2 -40.05 93.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.903 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -62.16 -37.15 84.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.055 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.99 -45.55 88.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.479 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.78 -51.36 69.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.597 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.22 -35.77 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.792 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD2' HD22 ' A' ' 91' ' ' LEU . 46.6 t80 -68.58 -47.12 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.675 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -61.83 -31.06 71.27 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -82.39 -1.55 50.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.22 27.47 57.71 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 114.153 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -91.75 87.31 6.24 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.794 -0.763 . . . . 0.0 111.589 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.78 -29.12 64.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.293 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.44 -50.02 66.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.1 t -74.88 -32.31 61.83 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.031 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.3 tp -61.58 -47.65 84.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 36' ' ' LEU . 10.8 pt-20 -60.29 -42.09 94.75 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.44 -40.93 85.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.3 t -66.3 -32.76 59.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.033 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.08 -39.6 82.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.641 0.258 . . . . 0.0 110.4 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.12 -32.97 74.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 109.942 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.1 tp10 -67.36 -43.9 80.32 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 43' ' ' ILE . 47.8 mm -62.35 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.844 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 48.1 mt-10 -56.7 -41.48 77.47 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.352 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.51 -35.43 73.21 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 71.8 mt -68.23 -35.28 77.7 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.797 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -59.86 -44.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 71.5 mm-40 -69.63 -39.28 77.26 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.419 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.4 -44.59 96.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.407 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -70.17 -42.59 72.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.371 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -66.86 -31.78 72.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.563 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 53.2 mm-40 -60.71 -36.85 79.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 111.354 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD13 ' HB3' ' A' ' 5' ' ' LYS . 94.7 mt -75.57 -28.82 59.12 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.038 0.447 . . . . 0.0 110.029 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -68.62 -28.75 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.673 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 CA--C 1.518 -0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.331 178.367 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 tp10 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.709 0.29 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.2 93.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.72 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -62.68 -44.57 95.91 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.931 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.537 ' OE1' ' HE3' ' A' ' 100' ' ' LYS . 34.5 mt-30 -65.35 -34.55 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -43.02 99.88 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.651 176.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.39 -45.69 87.83 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 120.973 0.416 . . . . 0.0 110.153 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.08 -42.49 96.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.848 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -62.84 -39.21 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.391 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 65' ' ' GLY . 81.8 t -65.15 -41.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.09 -36.01 81.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.486 0.66 . . . . 0.0 109.592 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -69.28 -42.26 75.73 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.031 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.65 -37.22 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.058 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -58.65 -45.02 90.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -64.08 -39.16 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.41 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.445 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.8 t80 -63.02 -48.77 77.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.459 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 76' ' ' ARG . 5.2 tpt180 -58.39 -46.4 86.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.695 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.75 -34.26 75.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.13 -30.94 67.12 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.0 mt -74.32 -41.25 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.99 -32.05 73.46 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.094 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -85.13 -3.25 58.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.817 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.81 26.21 73.92 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.7 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.546 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -92.53 76.78 5.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.587 0.708 . . . . 0.0 111.156 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 87' ' ' LEU . 74.5 mmtt -56.4 -25.31 49.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.726 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -60.15 -50.6 73.05 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.494 0.664 . . . . 0.0 110.295 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -72.85 -30.92 64.39 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.727 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 50.3 mt -60.22 -47.06 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.9 -45.5 90.13 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.04 -46.0 65.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.695 0.283 . . . . 0.0 111.707 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.11 -33.11 75.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.541 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD22 ' CD2' ' A' ' 24' ' ' PHE . 42.4 tp -63.53 -43.04 98.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.975 0.417 . . . . 0.0 110.202 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.41 -44.67 95.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.139 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.726 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.99 -47.28 85.51 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.345 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.0 tt0 -61.68 -46.21 90.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.833 -178.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -68.89 -41.06 78.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.994 0.426 . . . . 0.0 111.459 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.57 80.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.15 -44.99 78.42 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.504 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.4 mm-40 -61.89 -36.3 80.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.2 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.537 ' HE3' ' OE1' ' A' ' 64' ' ' GLN . 27.9 ttpt -70.87 -38.44 73.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.404 -176.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.59 -41.35 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.437 HH11 HG21 ' A' ' 14' ' ' VAL . 35.3 mtp85 -61.83 -38.27 87.56 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 47.9 mt-10 -60.47 -38.54 84.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.847 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.22 -38.98 86.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.025 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.2 m . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 64.39 7.69 3.78 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.46 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 52.9 m-85 -68.02 -28.91 67.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.463 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 40.7 tt0 -73.62 -42.07 61.96 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.82 -50.26 69.61 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.169 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.2 mt -49.81 -38.42 34.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.698 174.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.629 ' HA ' F22D ' A' ' 201' ' ' 7BU . 80.3 mtt180 -70.23 -44.61 68.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.521 0.2 . . . . 0.0 111.282 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 19.2 mt-30 -66.62 -32.11 73.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.854 0.359 . . . . 0.0 110.957 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.1 p -87.97 -19.11 27.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.215 0.531 . . . . 0.0 110.338 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -81.21 -42.74 9.15 Favored Glycine 0 N--CA 1.435 -1.386 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -56.56 -47.87 78.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.923 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -64.93 -40.43 95.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.426 HD23 ' HB2' ' A' ' 42' ' ' LEU . 3.4 tm? -60.96 -46.44 90.71 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.107 176.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG21 ' HD2' ' A' ' 102' ' ' ARG . 73.0 t -63.56 -43.23 98.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.437 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.59 -41.65 81.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.798 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.97 -36.4 80.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.226 0.536 . . . . 0.0 109.995 177.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -64.8 -39.52 93.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.073 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -65.98 -37.44 85.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.63 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.16 -35.54 80.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.769 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.46 -36.89 83.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.93 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -62.48 -44.74 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.842 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.69 -51.85 67.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.054 0.454 . . . . 0.0 110.303 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' A' ' 35' ' ' VAL . 81.4 mt -57.71 -35.39 50.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.485 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -67.3 -47.4 70.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -63.41 -27.07 69.04 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.263 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -89.43 -4.07 58.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.487 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.77 27.92 56.41 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 121.301 -0.476 . . . . 0.0 114.081 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -92.01 84.85 5.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 117.432 0.616 . . . . 0.0 110.838 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -57.0 -28.42 62.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.412 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -65.13 -49.38 70.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.175 0.512 . . . . 0.0 111.041 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -73.58 -31.82 63.8 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.13 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.7 tp -60.0 -45.4 92.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.412 -177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.22 -42.65 98.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.68 0.276 . . . . 0.0 111.475 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.12 -43.75 97.53 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.108 0.48 . . . . 0.0 110.647 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 23' ' ' ILE . 53.0 t -70.28 -35.44 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.413 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 81.8 mt -60.88 -36.58 79.57 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.963 0.411 . . . . 0.0 110.275 178.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 53.0 mm-40 -70.56 -40.65 73.24 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.118 177.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.1 tp10 -62.17 -43.2 99.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.356 0.598 . . . . 0.0 109.6 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 43' ' ' ILE . 61.7 mt -63.36 -47.04 93.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.398 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -57.28 -40.48 77.83 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.69 178.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 51.4 mm-40 -65.99 -38.98 89.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.977 0.417 . . . . 0.0 110.196 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 93.3 mt -69.36 -36.26 76.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.764 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.0 mt -61.53 -46.19 97.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 81.8 mm-40 -63.13 -41.88 99.4 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.407 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -61.66 -40.84 96.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.323 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -78.54 -44.0 25.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.577 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.677 ' HG3' F23B ' A' ' 201' ' ' 7BU . 33.6 ttt-85 -65.17 -38.05 89.3 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.755 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -58.1 -33.52 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.222 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.26 -37.43 87.45 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.195 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -77.65 -33.0 53.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -67.2 -38.01 84.61 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.52 -67.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.276 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 53' ' ' ARG . 43.0 mtt180 -113.6 103.39 11.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.907 0.384 . . . . 0.0 110.67 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -81.73 77.29 8.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.077 0.465 . . . . 0.0 110.812 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.41 -62.38 1.36 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.053 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' HA ' F21A ' A' ' 201' ' ' 7BU . . . 65.88 167.32 0.2 Allowed 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.641 178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -95.87 -8.64 33.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.02 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 174.22 158.75 0.16 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.811 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.9 p -74.59 -33.94 62.75 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.35 -38.96 91.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 110.495 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.42 98.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.67 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.44 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.199 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.62 -44.95 95.01 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.205 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -71.42 -29.87 65.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.814 0.34 . . . . 0.0 110.57 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.3 -49.32 66.65 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.74 -37.32 87.21 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.874 0.368 . . . . 0.0 110.717 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -62.53 -40.75 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.258 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -61.78 -37.95 86.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 65' ' ' GLY . 58.3 t -65.54 -38.88 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.449 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 77.8 mt-30 -68.7 -38.71 80.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.214 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.83 -39.26 93.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.133 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.44 -39.56 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.831 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.0 mt-30 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.378 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 99.1 mtt180 -67.31 -37.14 82.87 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.0 -47.82 83.83 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.646 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -65.4 -36.71 84.79 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.987 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 37.8 mt-10 -61.55 -36.84 81.75 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.73 -30.54 68.18 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.317 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.0 mt -73.16 -40.42 57.96 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -67.86 -33.6 75.06 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.878 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.45 -6.13 58.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.86 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.77 27.61 73.04 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.336 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.623 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t70 -91.35 96.97 10.82 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -72.29 -33.13 67.18 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.221 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.74 -49.62 74.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.795 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.2 m -65.64 -30.72 71.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.726 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.9 mt -59.02 -47.5 84.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.619 0.247 . . . . 0.0 111.032 -178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.34 -41.14 98.85 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.189 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -68.93 -46.64 67.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.376 . . . . 0.0 111.359 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.45 -33.58 76.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.1 tp -62.87 -42.92 99.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.229 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.45 ' HG2' ' NE2' ' A' ' 96' ' ' GLN . 30.9 tt0 -62.15 -45.03 95.22 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.045 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -65.82 -35.77 81.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.009 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.18 -48.27 76.57 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.822 178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.74 -44.38 96.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.935 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.45 ' NE2' ' HG2' ' A' ' 92' ' ' GLU . 47.5 mt-30 -64.95 -42.12 94.91 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.061 -178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -66.32 -42.72 87.82 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.941 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.655 ' HA ' F22C ' A' ' 201' ' ' 7BU . 9.0 tt -61.97 -46.88 87.32 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.719 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.817 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' A' ' 100' ' ' LYS . 9.6 mtpm? -71.57 -44.13 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.559 0.219 . . . . 0.0 111.439 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.491 HD12 F21C ' A' ' 201' ' ' 7BU . 95.9 mt -60.94 -46.21 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.604 ' HD2' HG21 ' A' ' 14' ' ' VAL . 42.0 mtp85 -59.0 -42.87 91.11 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.587 0.232 . . . . 0.0 111.497 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -61.57 -46.02 91.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.906 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 89.1 mt -65.83 -42.8 90.08 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.8 -28.06 68.73 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -175.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -76.46 -11.2 59.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -143.43 -163.98 1.76 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.519 ' HD3' ' C ' ' A' ' 108' ' ' LYS . 7.4 tmtt? -122.05 116.18 23.81 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 108' ' ' LYS . 8.5 t30 . . . . . 0 C--N 1.313 -1.021 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.308 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.736 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 120.885 0.374 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' OE2' ' HD3' ' A' ' 53' ' ' ARG . 1.6 mp0 -91.09 -25.51 19.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -174.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -65.03 -44.79 87.96 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.901 0.382 . . . . 0.0 111.043 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.1 -42.36 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.014 177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -61.94 -45.96 91.42 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.143 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.2 mt -48.64 -51.31 28.9 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.007 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.624 ' HA ' F22D ' A' ' 201' ' ' 7BU . 53.1 mtt-85 -64.68 -44.53 90.06 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.722 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.549 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 54.1 tt0 -60.12 -47.57 85.33 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.288 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.1 p -67.59 -21.82 65.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.986 0.422 . . . . 0.0 111.76 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.56 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -74.35 -47.62 16.56 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 177.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -56.46 -42.04 77.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.104 -0.548 . . . . 0.0 110.723 176.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 51.7 mt-10 -61.25 -46.07 91.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.302 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.77 -44.77 96.24 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 97.7 t -60.63 -47.61 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.736 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -57.33 -38.94 74.86 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.395 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.98 77.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.942 0.401 . . . . 0.0 110.931 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -67.21 -38.98 86.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.422 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 87.0 mt-30 -62.4 -37.4 85.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 0.0 109.88 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.578 ' O ' HG12 ' A' ' 23' ' ' ILE . 5.9 ttp180 -68.75 -35.63 77.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.908 175.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.3 tp -60.78 -39.4 88.71 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.178 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mmm-85 -64.47 -46.55 82.58 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.755 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 28.2 tt0 -61.21 -50.01 74.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.896 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 19' ' ' ARG . 48.7 mm -54.68 -37.29 39.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -70.31 -46.66 63.78 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.164 0.507 . . . . 0.0 109.941 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.55 -22.03 64.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.326 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 50.9 mtmt -93.09 -6.53 47.87 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.813 0.34 . . . . 0.0 110.845 177.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.83 26.9 61.1 Favored Glycine 0 CA--C 1.522 0.491 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.471 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -87.17 80.79 8.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.348 0.595 . . . . 0.0 110.021 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -57.46 -31.01 65.51 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.191 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.91 -48.15 77.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.447 0.641 . . . . 0.0 109.681 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.443 ' OG ' HD12 ' A' ' 23' ' ' ILE . 86.5 p -71.75 -31.01 66.21 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.956 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 50.0 tp -59.65 -40.97 89.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.285 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 33.7 tt0 -58.37 -44.6 88.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.915 0.388 . . . . 0.0 110.563 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -64.27 -39.12 93.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.78 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' ILE . 96.1 t -70.38 -38.23 73.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.753 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 95.4 mt -61.48 -37.27 83.01 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.895 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 41.4 mt-10 -67.21 -40.14 86.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.23 0.538 . . . . 0.0 109.854 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 47.4 mt-10 -67.71 -42.28 82.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.189 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 43' ' ' ILE . 73.2 mt -63.58 -48.59 86.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.699 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 13.3 tm-20 -57.82 -38.26 75.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.86 -40.48 83.64 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-O 121.001 0.429 . . . . 0.0 110.571 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 97.3 mt -68.94 -35.73 77.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.7 mt -60.94 -45.55 98.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.471 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 74.0 mm-40 -65.65 -44.81 85.23 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.271 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.76 -37.07 82.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.68 -44.61 32.97 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.822 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 24.2 ttt180 -71.5 -31.51 67.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 93.9 mt-30 -58.34 -31.32 67.46 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.261 0.553 . . . . 0.0 110.501 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.6 mt -73.43 -36.14 65.89 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.955 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -76.87 -34.45 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.488 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.508 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 63.7 m-20 -70.22 -34.44 72.9 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.2 0.524 . . . . 0.0 110.484 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -87.86 15.07 7.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.099 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.452 ' HD3' ' OE2' ' A' ' 2' ' ' GLU . 13.0 mmm180 -133.75 -65.92 0.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 65.12 153.14 0.06 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.447 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 54.47 32.06 15.99 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.83 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.97 -33.16 70.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.44 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HB3' F23A ' A' ' 201' ' ' 7BU . . . -147.87 -159.31 1.01 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.689 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -69.05 154.29 42.31 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.225 0.328 . . . . 0.0 110.358 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.3 m -70.98 -26.25 63.07 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.548 0.213 . . . . 0.0 111.356 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 29.6 tt0 -61.57 -42.19 98.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.956 -178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.53 92.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.811 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.29 93.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.966 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -63.38 -44.67 94.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.983 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.549 ' OE1' ' HA ' ' A' ' 101' ' ' ILE . 3.4 pt20 -70.54 -29.0 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.969 0.414 . . . . 0.0 110.129 177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.78 -48.39 77.32 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.615 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.9 m-20 -63.54 -37.55 87.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.733 0.302 . . . . 0.0 110.711 176.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -61.75 -42.42 98.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.285 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -61.91 -37.95 86.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.767 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 65' ' ' GLY . 94.2 t -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.981 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.615 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 70.9 mm-40 -62.18 -42.61 99.44 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.01 -39.2 91.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -63.98 -42.49 97.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.379 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 92.7 mt-30 -60.85 -44.57 96.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.079 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 83.4 mtt180 -65.41 -36.89 85.31 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.433 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.54 -47.98 83.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.166 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -65.42 -37.57 87.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.16 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -38.1 87.53 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.743 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.03 -33.01 74.77 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.531 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -69.73 -34.75 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.179 0.514 . . . . 0.0 109.685 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -73.21 -34.98 66.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.925 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -81.57 -7.86 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.499 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.16 24.64 76.45 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.657 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.439 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.8 t0 -92.41 96.27 10.15 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -73.48 -31.59 63.84 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.969 -177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.63 -44.68 93.17 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.463 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.9 m -65.74 -30.54 71.21 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.573 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 94.9 mt -59.03 -47.25 85.9 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.955 0.407 . . . . 0.0 110.161 -178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -61.81 -41.65 98.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.907 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.82 -45.22 68.34 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.95 -31.04 72.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.004 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.84 -36.68 84.14 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.76 -44.93 94.9 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.411 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.11 -41.77 85.66 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.837 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 50.4 mt -64.56 -48.47 74.92 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.767 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 29.5 tt0 -60.79 -45.74 93.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.402 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.65 -39.7 91.68 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.204 0.526 . . . . 0.0 110.797 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.559 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.06 -45.36 70.55 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.519 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.654 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.2 tt -61.74 -46.01 91.48 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.996 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 73.4 mm-40 -60.49 -41.14 93.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.328 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -72.14 -37.02 69.51 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 120.259 -0.576 . . . . 0.0 111.865 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 97' ' ' ALA . 79.4 mt -61.58 -46.97 95.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 120.676 -0.41 . . . . 0.0 109.953 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 -62.18 -35.25 78.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.002 0.429 . . . . 0.0 109.993 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.18 -47.46 79.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.916 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.8 mt -73.86 -39.78 63.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.922 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.7 -28.89 69.91 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.792 0.329 . . . . 0.0 111.374 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -91.34 -7.78 49.96 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.059 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.607 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 59.6 tttp -163.68 -108.19 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -178.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 58.1 tttm 157.7 -59.0 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.365 1.066 . . . . 0.0 109.999 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.318 -0.762 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.236 -178.632 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.702 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.467 0.396 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.476 ' HG3' ' HG2' ' A' ' 53' ' ' ARG . 5.3 mm-40 -82.92 -45.13 14.55 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.202 -172.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -60.96 -35.19 76.13 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -66.18 -48.17 71.55 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -69.8 -40.47 75.95 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.08 -53.11 21.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 174.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.63 ' HA ' F22D ' A' ' 201' ' ' 7BU . 16.4 ptt180 -67.22 -37.55 83.79 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 119.926 -0.71 . . . . 0.0 111.725 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.79 -44.78 96.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.935 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -73.32 -19.69 60.97 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.959 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -75.54 -49.25 9.34 Favored Glycine 0 N--CA 1.441 -1.008 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 177.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.81 -45.03 82.51 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.487 -0.357 . . . . 0.0 110.915 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -62.13 -42.31 99.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.374 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.18 -42.15 98.07 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.748 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.565 HG21 ' HD2' ' A' ' 102' ' ' ARG . 87.9 t -61.74 -47.27 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.834 0.35 . . . . 0.0 110.516 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -58.12 -45.11 87.87 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.54 77.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.932 0.396 . . . . 0.0 110.781 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 63.9 t80 -64.56 -39.35 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.247 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -62.99 -38.28 90.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.598 ' O ' HG12 ' A' ' 23' ' ' ILE . 98.5 mtt180 -63.22 -34.23 77.2 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.218 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' C ' HD13 ' A' ' 20' ' ' LEU . 3.1 tm? -58.92 -40.22 83.89 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.69 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -66.42 -42.01 88.39 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -66.7 -33.05 74.79 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.418 -177.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 19' ' ' ARG . 49.6 mm -78.74 -38.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.516 0.674 . . . . 0.0 109.574 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -72.69 -46.45 53.71 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.662 -175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -63.33 -26.18 68.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.152 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -92.68 0.78 57.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.428 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.56 28.25 71.03 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -86.12 79.69 9.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.471 0.636 . . . . 0.0 110.287 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.14 -32.78 64.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.34 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.26 -49.72 72.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.65 0.262 . . . . 0.0 111.379 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.1 t -74.91 -32.21 61.74 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.968 0.413 . . . . 0.0 110.282 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 4.0 tt -59.59 -47.22 86.41 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.167 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.17 -44.21 87.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.783 0.325 . . . . 0.0 110.869 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -64.96 -41.61 95.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.335 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 39' ' ' ILE . 73.4 t -63.85 -34.54 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.08 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.1 mt -59.28 -41.38 88.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.513 0.197 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -68.8 -32.88 72.92 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.627 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.26 -37.37 77.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.942 0.401 . . . . 0.0 110.015 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.5 mm -63.55 -48.78 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.336 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.24 -35.91 72.41 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.177 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.2 -45.13 89.63 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.414 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -36.45 78.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.323 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.5 mt -62.32 -48.01 90.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.632 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -63.94 -45.56 88.66 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -64.73 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.007 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.0 -43.94 41.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 47' ' ' ARG . 23.6 ttt180 -68.41 -32.32 72.28 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.54 -35.24 72.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.855 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -70.19 -32.45 70.38 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.363 0.601 . . . . 0.0 109.77 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.73 -30.49 64.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.146 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -75.56 -23.85 56.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.859 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.9 -61.69 2.14 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.299 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HG3' ' A' ' 2' ' ' GLU . 22.0 mmt180 -79.57 154.95 28.4 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.089 0.471 . . . . 0.0 111.252 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -81.26 -56.88 3.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.704 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -61.09 128.34 35.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.678 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.92 -13.24 56.44 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.28 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 68.92 -67.49 0.21 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.592 0.757 . . . . 0.0 111.091 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -120.27 115.43 23.57 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 p -85.58 -23.47 27.6 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.595 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.99 -45.38 67.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.806 0.336 . . . . 0.0 110.337 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.93 95.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.132 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.32 83.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.631 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.747 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -69.93 -29.36 66.49 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.39 -47.84 80.19 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.21 -37.8 86.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.474 0.178 . . . . 0.0 111.431 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -42.8 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.593 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -61.31 -40.08 92.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 0.0 110.169 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' GLY . 91.9 t -67.82 -40.43 83.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.03 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.87 -46.51 78.18 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.358 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.99 -38.6 91.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 75' ' ' PHE . 77.9 t80 -68.86 -40.51 79.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.855 0.36 . . . . 0.0 110.577 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 21.1 tp60 -60.43 -45.81 92.3 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -67.2 -32.39 73.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.135 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 72' ' ' PHE . 69.3 t80 -59.44 -48.09 82.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.814 175.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HG3' HD13 ' A' ' 36' ' ' LEU . 11.7 ttt180 -65.59 -37.26 86.12 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.75 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 46.6 mt-10 -61.14 -34.2 74.62 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -178.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.46 82.33 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.709 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.6 mt -59.29 -43.77 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.096 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -64.23 -34.61 78.5 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -82.2 -2.89 53.77 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.376 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.78 20.42 79.77 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.594 -0.812 . . . . 0.0 113.567 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.411 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -92.97 97.6 10.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.991 0.424 . . . . 0.0 110.618 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -78.07 -28.68 48.89 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.463 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.32 -50.87 72.32 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.231 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 p -64.11 -28.94 70.12 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.119 -177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 65.4 mt -59.33 -47.88 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.3 -41.93 97.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.657 0.265 . . . . 0.0 111.675 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.86 -44.38 73.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.94 0.4 . . . . 0.0 111.038 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.04 -30.98 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 91' ' ' LEU . 28.5 mt -63.62 -43.57 96.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.88 -42.53 97.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.353 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.97 -42.32 99.8 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.869 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.16 -44.68 96.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -62.96 -37.73 88.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.528 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.7 mt-30 -67.95 -43.92 77.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.92 0.391 . . . . 0.0 110.617 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.93 82.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.363 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.594 HD12 F23C ' A' ' 201' ' ' 7BU . 2.5 tp -60.84 -47.51 86.02 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.01 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -62.01 -37.56 85.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.048 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 97.2 mttt -68.62 -44.29 74.56 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.637 0.256 . . . . 0.0 111.178 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.486 HD12 F21C ' A' ' 201' ' ' 7BU . 91.4 mt -60.98 -46.72 96.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.653 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.565 ' HD2' HG21 ' A' ' 14' ' ' VAL . 8.9 mtp180 -59.08 -41.05 87.07 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.464 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.674 ' O ' ' HB2' ' A' ' 107' ' ' LYS . 42.6 mt-10 -60.27 -46.53 89.5 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.907 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.92 -42.21 85.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.72 -35.5 65.1 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -84.27 -20.15 32.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.899 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.674 ' HB2' ' O ' ' A' ' 103' ' ' GLU . 30.9 tttp -79.28 33.16 0.23 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.114 0.483 . . . . 0.0 110.865 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -135.82 -84.7 0.38 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.879 -0.581 . . . . 0.0 110.265 176.345 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.743 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.233 0.208 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -86.85 125.51 34.03 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -66.15 -24.73 66.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.031 0.443 . . . . 0.0 110.461 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.86 -34.03 77.4 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.944 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -66.83 -26.46 66.93 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.32 0.581 . . . . 0.0 110.0 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.09 -46.01 25.04 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.587 ' HA ' F21D ' A' ' 201' ' ' 7BU . 47.3 ttp180 -67.67 -37.2 82.02 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.364 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 21.8 tm0? -61.77 -47.44 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.25 -23.39 67.04 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.201 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -74.95 -48.87 10.67 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -57.18 -40.62 77.71 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.449 0.3 . . . . 0.0 110.608 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 13.8 mm-40 -61.95 -43.9 97.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.037 177.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.4 tp -60.9 -42.16 97.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 10' ' ' GLY . 93.8 t -62.46 -43.74 98.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.299 0.571 . . . . 0.0 109.845 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.74 -45.55 85.69 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.449 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.14 82.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.16 -39.46 94.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.065 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -64.68 -43.95 91.9 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HA ' ' OE1' ' A' ' 22' ' ' GLU . 76.7 ttt180 -62.63 -35.96 81.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.818 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' A' ' 39' ' ' ILE . 40.5 tp -61.89 -40.96 97.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.257 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.6 tpt180 -65.66 -40.61 92.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.942 -179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 36.4 mt-10 -61.98 -52.48 63.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 HG13 HG21 ' A' ' 35' ' ' VAL . 44.7 mm -57.47 -35.98 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.48 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -64.7 -47.97 76.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.708 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -64.56 -21.23 66.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.394 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 74.8 mmtt -88.66 -9.59 51.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.035 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 28.43 57.06 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.405 -0.426 . . . . 0.0 113.419 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -95.72 90.43 5.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.334 0.567 . . . . 0.0 111.604 -176.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.15 -32.4 64.24 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -67.69 -48.27 67.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.742 0.306 . . . . 0.0 111.397 -177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 t -72.48 -30.34 64.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.917 0.389 . . . . 0.0 109.971 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 35.4 tp -60.05 -40.18 88.54 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.274 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.83 -40.1 87.33 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.3 0.571 . . . . 0.0 110.184 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -69.26 -45.32 69.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.056 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.487 HG21 HG13 ' A' ' 23' ' ' ILE . 79.9 t -66.3 -35.12 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.783 0.325 . . . . 0.0 111.033 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -60.85 -33.9 73.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.721 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.27 -38.31 75.05 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 7.6 mm-40 -62.58 -44.74 95.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.388 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 43' ' ' ILE . 81.1 mt -63.62 -47.93 89.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.087 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -58.06 -37.36 74.29 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.633 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -65.32 -44.96 86.14 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.261 0.553 . . . . 0.0 110.248 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 84.2 mt -69.76 -36.6 75.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.754 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.6 mt -61.46 -47.65 92.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-O 120.613 0.244 . . . . 0.0 110.579 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 83.3 mm-40 -65.47 -45.76 82.46 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.49 -34.45 75.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.087 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -76.6 -43.95 36.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.163 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 47' ' ' ARG . 19.1 ttt180 -66.72 -30.93 71.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.273 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.8 mt-30 -57.65 -37.4 73.3 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.699 0.285 . . . . 0.0 110.839 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.47 -33.64 76.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.23 0.538 . . . . 0.0 110.233 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -75.32 -34.25 61.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.59 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -73.86 -26.98 60.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.515 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -49.7 -53.31 25.35 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.567 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -174.62 34.6 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 73.95 -57.78 0.61 Allowed 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.419 0.688 . . . . 0.0 112.038 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 70.21 -52.79 0.64 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.789 0.835 . . . . 0.0 111.866 -177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB3' F23A ' A' ' 201' ' ' 7BU . . . -97.33 119.39 35.76 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.99 54.68 1.34 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -143.04 121.74 12.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.02 0.438 . . . . 0.0 110.801 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 m -87.05 -33.56 19.48 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.72 -37.24 84.29 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.288 -0.565 . . . . 0.0 112.009 -175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -37.05 83.76 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.146 0.498 . . . . 0.0 110.056 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.451 ' HB2' F22A ' A' ' 201' ' ' 7BU . . . -67.79 -35.23 78.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.403 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.55 -38.51 91.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.467 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -67.19 -41.01 86.57 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.01 -40.3 98.29 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.965 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -44.57 94.86 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.726 0.298 . . . . 0.0 110.451 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.45 -39.84 95.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -60.2 -38.16 82.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.985 0.421 . . . . 0.0 110.242 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 93.3 t -66.84 -38.38 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.455 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -67.84 -39.76 83.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.336 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.3 -39.86 94.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.825 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -63.2 -39.15 93.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.325 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 69' ' ' VAL . 82.7 mm-40 -63.33 -42.26 98.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.189 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -68.23 -35.16 77.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.144 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.2 -48.09 81.55 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.616 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -58.75 -39.43 80.91 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.28 -36.23 82.44 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.145 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.49 -31.36 69.59 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.592 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 89.4 mt -71.61 -37.58 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -68.71 -32.48 72.32 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.726 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.46 -11.58 58.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.787 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.34 26.2 73.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.038 -1.077 . . . . 0.0 112.051 -176.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 13.6 t70 -93.17 100.26 12.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.052 0.453 . . . . 0.0 110.218 -176.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -69.44 -31.54 69.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.278 -175.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 89' ' ' GLN . 7.8 m-20 -64.82 -51.13 63.76 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.192 -176.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 p -65.72 -31.53 72.57 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.9 mt -59.82 -48.04 83.3 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.732 0.301 . . . . 0.0 110.353 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.277 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 85' ' ' ASP . 76.4 mm-40 -68.35 -45.24 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.945 0.402 . . . . 0.0 111.196 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.2 mt -69.27 -37.43 77.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.17 -42.83 99.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.826 0.346 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.56 -42.53 98.33 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.209 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -64.98 -40.18 94.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.187 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 79.1 mt -60.78 -45.59 93.78 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.212 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.51 -44.98 95.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.549 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tt0 -68.18 -42.91 79.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.896 0.379 . . . . 0.0 111.091 -177.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.7 -41.1 84.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.134 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.587 ' HA ' F22C ' A' ' 201' ' ' 7BU . 8.2 tt -61.32 -46.91 88.31 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.336 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.86 -35.65 80.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.319 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 65.5 mttm -71.47 -40.62 70.16 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.177 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.479 HD12 F21C ' A' ' 201' ' ' 7BU . 96.3 mt -61.55 -46.17 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.643 178.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -58.21 -37.14 74.23 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.957 0.408 . . . . 0.0 111.056 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.1 -46.11 78.8 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.808 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.672 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 64.4 mt -73.63 -42.44 61.44 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.572 ' HB1' ' C2D' ' A' ' 201' ' ' 7BU . . . -62.63 -33.12 74.37 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -88.74 0.08 56.82 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.772 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -176.46 99.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 104' ' ' LEU . 25.2 tptp -141.37 119.16 11.77 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -174.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 53.5 t30 . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 174.297 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.743 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.028 0.442 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -107.1 -46.05 4.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.559 -177.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -65.71 -32.99 74.85 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 11.0 mm-40 -66.77 -48.14 70.01 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.183 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -64.49 -42.29 95.95 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.58 -51.13 39.33 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.139 172.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.654 ' HA ' F22D ' A' ' 201' ' ' 7BU . 35.8 ttp85 -63.59 -44.1 95.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 76.6 mm-40 -60.78 -43.52 97.98 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p -68.65 -20.18 64.44 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -72.84 -44.39 38.12 Favored Glycine 0 N--CA 1.438 -1.218 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 176.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.536 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 6.8 m-20 -57.13 -42.71 81.44 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.077 -0.561 . . . . 0.0 110.857 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.03 -43.56 98.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.492 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD23 F23C ' A' ' 201' ' ' 7BU . 35.8 tp -61.13 -41.33 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.461 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 96.6 t -63.05 -44.34 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.26 176.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 95.7 mt-30 -57.5 -44.57 85.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.414 178.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.31 81.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.797 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.72 -39.16 90.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.476 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 95.9 mt-30 -64.02 -37.22 86.64 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.175 0.512 . . . . 0.0 109.783 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -69.34 -36.02 76.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.382 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 tp -62.31 -43.57 98.52 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.971 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.4 mmm180 -63.49 -46.71 84.9 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.769 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.05 -52.53 64.55 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.851 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.585 HG23 ' HB3' ' A' ' 28' ' ' ASP . 77.2 mt -60.99 -36.51 72.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.058 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -68.79 -47.93 64.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.069 0.461 . . . . 0.0 109.839 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.08 -23.66 66.64 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.462 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -90.37 1.73 56.29 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.873 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.63 56.62 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 114.367 0.507 . . . . 0.0 114.367 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.585 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.9 t0 -91.14 83.19 5.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 117.482 0.641 . . . . 0.0 111.031 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.76 -34.67 67.8 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.404 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -65.07 -49.52 69.74 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.5 t -74.39 -30.4 61.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.871 0.367 . . . . 0.0 110.342 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.701 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 17.9 tp -60.26 -42.43 95.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.563 -177.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 36' ' ' LEU . 44.7 mt-10 -62.72 -40.78 98.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.908 0.385 . . . . 0.0 111.308 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -63.3 -41.0 98.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.382 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG21 HD12 ' A' ' 23' ' ' ILE . 80.1 t -70.09 -33.21 54.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.403 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.0 mt -59.02 -40.42 84.93 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.9 tt0 -65.57 -38.93 90.97 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.945 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.5 -41.84 99.09 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.98 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.489 ' O ' HG13 ' A' ' 43' ' ' ILE . 77.4 mt -63.37 -47.83 90.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.372 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.87 -41.21 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.65 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 49.1 mt-10 -63.3 -44.22 95.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.665 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.26 -36.21 83.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.356 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 39' ' ' ILE . 83.0 mt -62.22 -47.26 93.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.127 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -64.93 -45.66 84.88 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.174 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.49 -33.89 75.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.808 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -76.23 -43.0 44.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.063 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -68.04 -37.11 80.95 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.668 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -58.87 -31.87 68.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.3 -32.46 70.24 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.92 0.391 . . . . 0.0 110.471 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -77.71 -31.16 52.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.703 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.53 -37.94 41.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.063 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -81.08 6.98 12.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -126.12 -176.61 3.69 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.239 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -78.18 164.51 24.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.356 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.3 117.31 11.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.223 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.87 154.9 35.89 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.46 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.51 22.78 0.55 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.251 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.19 95.52 4.84 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -85.68 -37.79 19.04 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.973 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -60.96 -45.45 94.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.2 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.91 97.53 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.358 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.63 94.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 110.771 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -64.68 -45.28 87.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.841 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -71.49 -28.97 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.012 0.434 . . . . 0.0 110.424 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -64.93 -46.88 88.03 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -65.34 -36.32 83.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 110.442 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -63.6 -41.3 98.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.723 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -62.56 -39.06 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.949 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.61 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 71.9 t -67.77 -37.69 78.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.395 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.465 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 64.8 tt0 -66.44 -43.99 84.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.569 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.15 -37.01 81.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.9 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -66.79 -37.05 83.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.19 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.7 mt-30 -59.57 -43.55 93.59 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 70' ' ' GLN . 10.1 mpt_? -65.81 -39.87 91.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.126 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -61.34 -48.28 82.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.841 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmm-85 -61.5 -43.28 99.15 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.26 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -63.14 -38.54 91.56 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.446 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.86 87.87 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.375 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.06 -41.95 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.596 0.236 . . . . 0.0 111.086 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.52 -32.66 74.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.942 0.401 . . . . 0.0 110.696 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -84.46 -0.41 52.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.869 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.61 15.45 70.91 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.138 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.602 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 16.1 t0 -83.47 94.28 7.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.219 0.533 . . . . 0.0 110.558 -177.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.74 -31.46 57.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.334 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.474 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -67.43 -30.68 70.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.477 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 78.6 mt -59.08 -46.69 87.64 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.459 -176.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -58.12 -46.24 85.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.969 0.414 . . . . 0.0 110.731 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 11.3 mm100 -68.69 -46.84 67.97 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.491 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.76 -32.56 72.39 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -67.69 -40.9 84.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.792 0.33 . . . . 0.0 110.454 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 56.9 mm-40 -64.14 -38.15 90.04 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.07 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 68.0 mm-40 -62.06 -41.23 97.92 Favored 'General case' 0 C--N 1.339 0.11 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 66.3 mt -63.09 -46.55 86.87 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.441 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 31.6 tt0 -61.47 -46.82 88.43 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.354 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.598 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 97.0 mt-30 -63.67 -38.99 93.2 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.88 0.371 . . . . 0.0 111.153 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.57 -40.69 76.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.247 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.402 ' HG ' F22C ' A' ' 201' ' ' 7BU . 10.4 tt -61.77 -41.76 98.12 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.06 178.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.73 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.6 mm-40 -60.66 -41.55 95.23 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 74.3 mmtt -67.27 -44.41 79.41 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.648 0.261 . . . . 0.0 111.309 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.461 HD12 F21C ' A' ' 201' ' ' 7BU . 87.0 mt -61.76 -45.85 97.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -59.09 -43.25 91.81 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.877 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 21.1 mm-40 -60.14 -43.12 95.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.233 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.28 -40.11 71.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.571 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.5 -30.65 68.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.879 0.371 . . . . 0.0 111.424 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -85.34 -29.44 24.48 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.625 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -159.2 102.39 1.6 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 122.623 0.369 . . . . 0.0 110.477 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -77.8 141.02 39.46 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.431 -0.795 . . . . 0.0 109.471 -175.567 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.705 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 121.313 0.577 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -168.98 -31.9 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.184 -178.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -64.01 -33.64 76.21 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.35 -33.64 61.11 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.75 -26.76 67.14 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.061 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 2' ' ' GLU . 96.7 mt -77.6 -44.63 27.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' HA ' F22D ' A' ' 201' ' ' 7BU . 60.2 ttm-85 -68.48 -34.63 76.27 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.316 179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 34.7 tt0 -65.74 -35.77 81.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.764 0.316 . . . . 0.0 110.645 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.5 p -85.19 -19.78 31.19 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.21 0.529 . . . . 0.0 109.949 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.37 -44.71 10.75 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -55.07 -46.63 75.44 Favored 'General case' 0 CA--C 1.509 -0.632 0 C-N-CA 122.55 0.34 . . . . 0.0 110.816 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 42.1 mm-40 -61.82 -44.99 95.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.422 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.25 -48.25 82.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.265 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.57 -48.31 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 111.143 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.58 -46.46 86.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.516 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.04 -36.06 77.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.63 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 84.8 t80 -66.13 -39.85 90.2 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.07 0.462 . . . . 0.0 110.322 178.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -64.2 -43.77 94.0 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 23' ' ' ILE . 31.5 tpt180 -64.08 -34.74 78.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.008 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 50.9 tp -59.13 -39.08 81.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.85 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 21' ' ' ARG . 6.1 ttp180 -67.84 -35.89 79.38 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.307 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -65.52 -30.17 70.89 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.223 0.535 . . . . 0.0 110.414 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.443 ' CD1' HG21 ' A' ' 35' ' ' VAL . 79.0 mt -75.91 -34.42 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -69.6 -37.23 76.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.204 -1.362 . . . . 0.0 108.784 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.06 -32.94 71.41 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.959 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -87.61 -7.44 57.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.928 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.2 29.37 68.43 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.601 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -85.3 80.41 9.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.036 0.446 . . . . 0.0 110.162 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 14.2 m-20 -56.3 -28.73 59.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.799 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.48 -50.37 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.721 0.296 . . . . 0.0 111.03 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -75.23 -32.25 61.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 29.9 tp -59.91 -47.52 85.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.479 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 45.2 mt-10 -57.29 -46.25 83.32 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.79 0.329 . . . . 0.0 111.133 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -67.01 -41.61 86.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.133 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.3 t -71.42 -36.24 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 80.4 mt -59.53 -38.86 82.13 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 120.527 0.203 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 39.4 mt-10 -64.68 -44.73 89.39 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.571 177.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 14.3 tp10 -62.2 -41.76 98.66 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.59 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 35' ' ' VAL . 41.3 mm -60.06 -49.18 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.5 tt0 -58.12 -39.33 78.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.875 177.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 46.4 mt-10 -70.4 -35.14 73.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.816 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.5 mt -65.25 -36.97 85.77 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.7 mt -60.86 -43.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.297 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 73.9 mm-40 -64.51 -44.45 90.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 89.3 mttt -62.16 -39.0 91.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.013 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -76.39 -44.6 35.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.629 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -63.0 -36.61 84.12 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -58.95 -32.75 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.533 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.6 -33.1 64.44 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -72.07 -30.2 64.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.192 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.27 -20.79 63.03 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.078 0.466 . . . . 0.0 110.324 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -97.36 -74.9 0.56 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.547 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -90.7 121.14 32.33 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -93.38 -89.57 0.21 Allowed 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.594 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.85 48.05 12.05 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.199 0.523 . . . . 0.0 112.36 -178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.52 ' HA ' F23A ' A' ' 201' ' ' 7BU . . . -73.87 -24.03 59.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.77 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 71.19 -54.57 0.67 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.632 0.773 . . . . 0.0 111.255 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -115.45 120.63 40.19 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.4 p -65.91 -28.78 69.19 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -69.16 -33.35 73.26 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.659 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.81 90.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.42 96.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.488 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.99 -33.53 76.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.797 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -63.94 -39.99 95.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.74 -43.49 99.17 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.95 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.7 -40.57 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.981 0.42 . . . . 0.0 110.775 176.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -67.63 -37.64 82.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.693 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -62.54 -39.18 92.79 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 65' ' ' GLY . 73.6 t -65.29 -38.58 82.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.42 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -65.37 -45.17 85.17 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.082 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.38 -38.87 91.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.389 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.4 -43.07 95.6 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.779 0.323 . . . . 0.0 110.221 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -64.85 -35.59 81.61 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.346 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -66.04 -40.97 91.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.45 -47.84 80.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.171 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -63.57 -40.36 96.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.272 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' HG3' ' HE2' ' A' ' 81' ' ' LYS . 7.8 tp10 -63.15 -34.38 77.51 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.536 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.21 96.19 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.946 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 mm -60.39 -41.45 87.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 110.349 176.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.52 -37.14 86.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.64 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 77' ' ' GLU . 67.0 mttm -83.4 -7.45 59.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.797 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.8 25.38 75.23 Favored Glycine 0 N--CA 1.454 -0.166 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.605 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.6 t70 -86.42 96.46 10.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.804 0.335 . . . . 0.0 110.567 -176.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -72.51 -32.16 65.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -58.82 -48.4 81.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.208 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.1 m -69.14 -29.81 67.92 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.374 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 91.7 mt -59.68 -48.21 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -175.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -59.05 -46.66 87.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.928 0.394 . . . . 0.0 111.273 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.03 -46.19 65.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.943 -176.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.32 -34.41 76.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.761 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.36 -41.88 97.79 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.07 0.462 . . . . 0.0 109.841 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -44.93 91.32 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.836 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -61.83 -36.87 82.44 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.914 0.388 . . . . 0.0 110.738 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.57 -45.21 95.11 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.873 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 30.2 mt-10 -61.83 -46.2 90.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -67.92 -35.78 79.03 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.331 -0.548 . . . . 0.0 111.489 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -68.63 -43.18 76.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.004 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.646 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.3 tt -61.18 -45.0 96.39 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.367 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 95' ' ' GLU . 93.0 mt-30 -60.45 -39.36 87.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.959 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.09 -40.04 71.78 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.363 -0.535 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 97' ' ' ALA . 92.6 mt -59.77 -47.79 90.01 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.912 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -58.98 -45.0 91.67 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.75 -44.92 92.07 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.655 -0.418 . . . . 0.0 111.556 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.29 -43.32 95.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.66 -32.07 70.51 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -98.17 2.3 48.32 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.3 0.571 . . . . 0.0 110.383 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt 55.85 66.6 1.17 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.741 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.4 tptm 65.79 1.6 1.87 Allowed 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 115.111 -0.949 . . . . 0.0 112.556 177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.394 -0.812 . . . . 0.0 110.762 179.634 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.695 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.514 ' HB3' ' OE2' ' A' ' 4' ' ' GLU . 25.4 m . . . . . 0 N--CA 1.467 0.403 0 CA-C-O 121.108 0.48 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.445 ' HG3' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -134.93 -26.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.553 -178.444 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -57.58 -26.56 61.66 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 1.8 mp0 -60.71 -49.28 78.13 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.578 ' HG3' HD11 ' A' ' 49' ' ' LEU . 16.8 tppt? -64.68 -42.0 95.66 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.138 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 49' ' ' LEU . 3.6 mm? -49.17 -53.71 19.79 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.102 174.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.568 ' HA ' F22D ' A' ' 201' ' ' 7BU . 6.4 tpt180 -63.02 -45.63 91.44 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.119 177.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 12.8 mm100 -60.8 -46.5 90.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.3 p -65.35 -26.36 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -70.67 -52.19 16.81 Favored Glycine 0 N--CA 1.442 -0.948 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 177.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 26.9 m-20 -55.4 -44.9 76.59 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.717 -0.242 . . . . 0.0 111.021 176.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 37.8 mt-10 -61.68 -41.5 97.65 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.545 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.85 -42.73 98.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 10' ' ' GLY . 73.0 t -61.31 -44.24 98.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.286 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -57.28 -45.59 83.94 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.32 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HB1' HG12 ' A' ' 39' ' ' ILE . . . -68.13 -40.21 82.52 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.36 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 91.5 t80 -65.36 -43.77 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 111.301 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -65.19 -41.38 94.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.048 0.451 . . . . 0.0 109.787 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' O ' HG12 ' A' ' 23' ' ' ILE . 52.5 ttt180 -63.14 -35.21 79.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.884 177.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 75' ' ' PHE . 47.6 tp -59.68 -41.08 89.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.802 . . . . 0.0 111.304 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -67.04 -36.74 82.74 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.932 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 50.9 mt-10 -68.46 -30.06 68.84 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.686 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 19' ' ' ARG . 40.4 mm -73.81 -34.83 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -69.99 -37.65 75.79 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.187 -1.37 . . . . 0.0 108.824 -178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.513 ' OD2' ' HA ' ' A' ' 22' ' ' GLU . 69.3 m-20 -61.4 -32.66 72.6 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.299 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 71.9 mmtt -89.01 -5.29 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.418 -175.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.56 28.94 65.87 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.825 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -82.27 103.1 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.463 0.649 . . . . 0.0 109.67 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -73.8 -42.41 60.99 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.446 -172.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.78 -34.98 72.36 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.566 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -70.04 -29.85 66.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.367 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.04 -41.48 83.31 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.556 -177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.08 -38.85 90.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.094 0.473 . . . . 0.0 110.065 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.71 -41.19 68.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.954 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG21 HG13 ' A' ' 23' ' ' ILE . 72.0 t -72.14 -45.56 61.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 55.0 mt -61.0 -35.94 78.16 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.435 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 36.4 tt0 -64.39 -45.27 88.41 Favored 'General case' 0 N--CA 1.428 -1.532 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.028 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.95 -37.41 87.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.961 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG12 ' HB1' ' A' ' 16' ' ' ALA . 78.2 mt -63.54 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.542 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 45.2 mt-10 -57.21 -37.92 72.95 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.338 176.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 37' ' ' GLU . 45.4 mt-10 -63.19 -45.59 91.05 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.066 178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.09 -38.6 79.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.987 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 39' ' ' ILE . 75.6 mt -63.35 -46.97 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.096 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.42 -44.16 88.24 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.02 -34.73 75.3 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.894 0.378 . . . . 0.0 111.107 177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -76.81 -41.22 45.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.864 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.545 ' HG3' F23B ' A' ' 201' ' ' 7BU . 25.4 ttp180 -69.59 -36.53 76.33 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.389 178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -58.46 -30.43 66.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.834 0.35 . . . . 0.0 111.317 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.578 HD11 ' HG3' ' A' ' 5' ' ' LYS . 59.3 mt -63.48 -33.27 75.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.485 177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.89 -30.63 40.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.678 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -68.0 -40.03 83.1 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.782 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.35 -59.42 5.48 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.282 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.445 ' HD3' ' HG3' ' A' ' 2' ' ' GLU . 10.7 ptm180 -122.95 106.82 11.18 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 120.996 0.427 . . . . 0.0 111.07 177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -69.14 160.34 31.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.27 70.91 0.6 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.097 0.475 . . . . 0.0 110.775 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' HB3' F21A ' A' ' 201' ' ' 7BU . . . -81.23 -49.96 10.14 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.96 -120.37 0.13 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.03 177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -90.46 163.25 14.72 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 p -86.4 -19.27 29.95 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.756 0.312 . . . . 0.0 111.457 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 41.5 tt0 -63.74 -45.45 89.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.123 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.39 -37.38 83.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.27 66.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.733 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -68.08 -42.62 80.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.228 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 12.7 mm100 -65.68 -42.8 90.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.938 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.59 -35.53 91.96 Favored Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.663 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.61 -42.62 97.16 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.979 0.418 . . . . 0.0 110.635 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' ' 71' ' ' LEU . 65.7 mt-30 -62.45 -43.13 99.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.082 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -61.25 -38.09 85.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.62 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -65.46 -40.32 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.512 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -68.04 -37.08 80.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.187 0.517 . . . . 0.0 110.565 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 67' ' ' GLN . 7.6 mp -69.08 -42.67 75.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.371 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -67.05 -40.2 87.09 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.603 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 6.3 tp-100 -63.76 -36.83 85.17 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -63.91 -39.31 93.88 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.184 175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 79' ' ' ILE . 86.6 t80 -60.17 -45.15 94.05 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.822 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -58.69 -44.65 90.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 40.8 mt-10 -62.73 -35.65 80.44 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.088 0.47 . . . . 0.0 110.145 -177.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.99 -31.89 69.81 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.481 -177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.532 HD11 ' CE2' ' A' ' 75' ' ' PHE . 59.7 mt -74.11 -41.09 51.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-O 121.409 0.623 . . . . 0.0 109.418 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.96 -30.83 71.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.578 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -89.63 -1.64 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.71 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.25 26.7 74.06 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.657 -0.782 . . . . 0.0 113.408 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.624 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 11.6 t70 -93.05 97.2 10.54 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.123 0.487 . . . . 0.0 110.04 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -75.15 -27.99 59.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.031 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.98 -50.36 73.71 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.116 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.2 m -67.52 -30.61 70.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.566 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 84.7 mt -59.18 -47.42 85.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.547 0.213 . . . . 0.0 111.204 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -64.82 -36.97 86.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.961 0.41 . . . . 0.0 111.015 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -67.72 -45.5 74.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.161 0.505 . . . . 0.0 110.463 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HG2' ' A' ' 93' ' ' GLU . 88.2 mt -68.12 -31.36 70.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.463 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 87' ' ' LEU . 57.6 mt -65.27 -38.54 90.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.889 0.376 . . . . 0.0 110.028 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.49 -47.03 85.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.919 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' OE1' ' HG ' ' A' ' 71' ' ' LEU . 8.5 pt-20 -72.92 -33.63 66.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.759 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.21 -47.23 77.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.716 0.293 . . . . 0.0 110.775 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.56 -46.06 91.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.582 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -66.04 -39.5 90.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.82 0.343 . . . . 0.0 111.256 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.496 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.75 -45.22 68.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' HG ' F22C ' A' ' 201' ' ' 7BU . 9.3 tt -61.72 -45.37 94.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.577 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -61.19 -40.65 94.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.997 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -68.14 -41.13 82.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.533 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 97' ' ' ALA . 97.1 mt -61.93 -46.8 95.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.543 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.07 -40.34 89.18 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.516 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -60.68 -42.97 98.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.738 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.46 -44.14 58.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.957 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.11 -31.45 62.79 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -175.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -82.61 -24.61 33.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.736 0.303 . . . . 0.0 110.525 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -72.99 -65.31 0.82 Allowed 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.199 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -52.22 106.01 0.14 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.433 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--N 1.312 -1.037 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.852 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.704 ' C3A' F23B ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 120.608 0.242 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -133.23 -62.07 0.8 Allowed 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.569 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 66.6 t80 -65.28 -40.95 94.56 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.734 0.302 . . . . 0.0 111.752 -176.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -60.99 -53.42 57.5 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.112 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.55 -26.01 68.35 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.312 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 3' ' ' PHE . 49.6 tp -64.55 -54.44 32.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.324 -0.853 . . . . 0.0 108.857 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.6 ' HA ' F22D ' A' ' 201' ' ' 7BU . 37.1 ttt180 -63.91 -39.73 94.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.733 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.695 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 63.3 mm-40 -60.03 -46.39 89.67 Favored 'General case' 0 C--O 1.22 -0.459 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.942 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -65.66 -29.0 69.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.729 0.299 . . . . 0.0 111.486 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -71.43 -51.76 15.61 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 24.1 m-20 -58.5 -42.43 87.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.806 -0.197 . . . . 0.0 111.393 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 59.3 mm-40 -61.55 -40.43 94.68 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.989 0.423 . . . . 0.0 109.96 177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.18 -43.48 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.648 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 10' ' ' GLY . 81.3 t -60.17 -43.27 92.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.377 177.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 73.7 mt-30 -58.11 -45.66 86.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.343 177.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.17 93.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.848 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -63.25 -41.53 99.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.669 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -68.62 -32.93 73.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -70.4 -35.52 73.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.8 -45.88 90.94 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.307 -177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.545 ' HG2' ' OD2' ' A' ' 25' ' ' ASP . 60.1 ttt180 -66.59 -39.47 88.43 Favored 'General case' 0 C--O 1.217 -0.614 0 C-N-CA 119.831 -0.747 . . . . 0.0 111.83 -178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.2 -50.86 71.42 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -55.66 -36.15 41.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.12 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -67.91 -47.44 68.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.788 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.545 ' OD2' ' HG2' ' A' ' 21' ' ' ARG . 63.6 m-20 -62.82 -22.1 66.39 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.44 177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -93.69 -1.66 54.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.017 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.32 27.96 58.54 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 113.938 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.54 81.06 3.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.616 0.722 . . . . 0.0 111.569 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.83 -26.79 59.0 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.726 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 13.2 m-20 -64.68 -49.56 70.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.723 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.4 t -75.63 -31.59 59.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.87 0.367 . . . . 0.0 110.421 178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 18.5 tp -60.03 -46.64 88.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.611 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 30' ' ' ASP . 15.6 pt-20 -60.21 -40.25 89.46 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.023 0.439 . . . . 0.0 110.802 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -65.45 -40.98 93.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.439 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 39' ' ' ILE . 65.7 t -67.79 -33.73 63.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.026 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.97 -37.4 79.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.383 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.3 -37.04 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.924 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 28.7 mm-40 -66.82 -45.32 78.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.023 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' O ' HG13 ' A' ' 43' ' ' ILE . 68.7 mt -61.79 -48.32 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.599 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 37.6 mt-10 -60.98 -36.72 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.671 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.81 -39.09 87.6 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.984 0.421 . . . . 0.0 110.658 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 99.2 mt -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.355 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 39' ' ' ILE . 77.9 mt -61.57 -44.58 98.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.265 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.62 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 13.8 mm100 -62.56 -47.17 85.04 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.214 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -63.0 -35.19 79.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.211 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -75.94 -43.72 43.5 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.044 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -65.83 -36.29 83.05 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.771 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 15.1 mm100 -58.36 -30.65 66.92 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' HA ' ' ND2' ' A' ' 52' ' ' ASN . 61.6 mt -70.63 -29.65 66.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.079 0.466 . . . . 0.0 110.254 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.45 -29.84 52.98 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -65.46 -25.97 67.74 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 49' ' ' LEU . 86.2 m-20 -71.37 -67.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.631 174.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -98.89 103.51 15.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.788 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -70.11 158.13 36.31 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 67.41 -53.34 0.48 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.652 0.781 . . . . 0.0 112.597 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.86 34.22 21.73 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.154 0.582 . . . . 0.0 112.016 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 72.81 -31.34 0.22 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.901 0.88 . . . . 0.0 112.559 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -129.15 113.01 14.55 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.9 m -85.69 -23.68 27.31 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.924 0.392 . . . . 0.0 110.8 -177.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.87 -42.09 73.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.007 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.13 81.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.8 -37.67 76.37 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.332 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 88.2 tttt -70.06 -39.18 75.83 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.096 -178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -65.65 -39.89 91.88 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.526 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.49 -34.69 90.18 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.997 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -62.69 -40.52 97.38 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-O 121.139 0.495 . . . . 0.0 109.723 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.644 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 mm-40 -65.34 -42.11 93.22 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.261 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.38 -38.22 83.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.093 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 65' ' ' GLY . 92.9 t -67.17 -37.9 80.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.592 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.12 -43.18 78.97 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.476 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 69.8 mt -60.99 -40.14 92.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.716 178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.78 -38.33 86.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.79 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 56.1 mt-30 -66.36 -35.88 81.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.022 0.439 . . . . 0.0 110.131 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.44 -38.17 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.597 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.83 -49.22 78.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.36 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' HD13 ' A' ' 36' ' ' LEU . 28.0 ttt180 -65.98 -35.88 81.78 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.383 -0.527 . . . . 0.0 111.085 177.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.54 -37.19 82.84 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.34 88.15 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.898 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.1 -42.69 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 120.612 0.244 . . . . 0.0 110.904 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -64.0 -35.86 82.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.964 0.411 . . . . 0.0 110.079 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -89.1 3.14 52.8 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.437 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.25 13.36 70.29 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 121.104 -0.57 . . . . 0.0 114.146 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -80.67 96.36 6.87 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.052 0.453 . . . . 0.0 110.419 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -74.58 -34.84 62.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.03 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.27 -48.4 78.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.875 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.8 m -65.91 -29.63 70.09 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.898 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 83.8 mt -59.34 -47.46 85.32 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.737 -0.21 . . . . 0.0 111.454 -176.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.22 -46.37 85.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.819 0.342 . . . . 0.0 111.401 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.59 -45.42 75.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.842 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.52 -33.46 74.17 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 21' ' ' ARG . 54.6 tp -62.85 -44.79 95.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.824 0.345 . . . . 0.0 110.658 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.11 -38.6 91.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.36 -38.39 90.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.988 0.423 . . . . 0.0 110.124 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.2 mt -61.64 -43.58 98.58 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 176.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 11.5 tp10 -60.53 -45.05 95.27 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.925 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.68 -42.89 97.96 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.079 0.466 . . . . 0.0 111.206 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.77 -39.08 73.42 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.036 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.589 ' HG ' F22C ' A' ' 201' ' ' 7BU . 10.0 tt -61.77 -47.06 86.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.857 0.36 . . . . 0.0 110.286 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 84.6 mm-40 -62.51 -32.92 73.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.504 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -70.73 -43.06 69.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.058 0.456 . . . . 0.0 110.203 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.549 HD12 F21C ' A' ' 201' ' ' 7BU . 93.3 mt -60.63 -44.64 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.469 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.23 -44.07 83.47 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.223 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.0 -47.18 78.41 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.453 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.45 -42.68 82.7 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.87 -29.19 62.99 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -95.79 -21.35 18.18 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.499 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm 59.43 -84.94 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.499 0.72 . . . . 0.0 112.647 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -114.35 173.14 6.6 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.1 -176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.6 m120 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.028 -0.987 . . . . 0.0 111.779 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.72 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.52 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 22.4 t . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.936 0.398 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.9 mp0 -52.03 -59.16 4.67 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.389 0.676 . . . . 0.0 111.89 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -62.08 -25.85 67.93 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.52 ' OE1' ' HA ' ' A' ' 1' ' ' SER . 41.5 mt-10 -73.07 -37.04 66.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.125 0.488 . . . . 0.0 109.818 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -71.88 -25.76 62.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.315 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.98 -45.51 20.16 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.595 ' HA ' F22D ' A' ' 201' ' ' 7BU . 25.8 ttm-85 -67.18 -40.59 86.57 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.641 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -62.08 -47.4 84.85 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.928 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 46' ' ' HIS . 18.5 p -65.5 -21.08 66.59 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.019 0.438 . . . . 0.0 111.456 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.04 -48.72 8.14 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -56.42 -41.46 76.43 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 122.595 0.358 . . . . 0.0 110.417 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -60.71 -47.5 85.98 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.333 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.72 -45.77 92.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.67 -48.36 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.198 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.81 -38.76 79.33 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.854 0.359 . . . . 0.0 111.639 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.32 72.48 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.839 0.352 . . . . 0.0 110.74 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -67.23 -43.45 81.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.52 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.17 -38.33 90.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.089 0.471 . . . . 0.0 109.935 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 -69.35 -34.91 75.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.267 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.12 -41.15 92.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.179 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HG3' HD21 ' A' ' 91' ' ' LEU . 67.8 ttt180 -68.34 -40.18 81.65 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.32 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 32.5 mm-40 -60.82 -50.7 72.39 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 HG21 ' A' ' 35' ' ' VAL . 83.5 mt -58.91 -33.91 51.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.09 175.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -68.28 -47.69 67.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.618 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.5 -23.66 66.95 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.767 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 68.9 mttm -83.42 -4.75 58.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.994 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.33 28.17 64.15 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 114.34 0.496 . . . . 0.0 114.34 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.04 85.09 4.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.477 0.639 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -56.1 -30.96 62.8 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.649 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -66.25 -49.93 65.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.3 t -73.77 -35.27 64.95 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.16 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 27.6 tp -60.83 -43.44 98.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.958 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.45 -43.8 93.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.19 -37.1 83.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.483 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.1 t -70.24 -34.25 57.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.459 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 94.3 mt -60.63 -36.53 78.86 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.17 -41.99 96.89 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.259 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.1 mm-40 -64.09 -44.68 91.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 35' ' ' VAL . 38.7 mm -61.97 -49.27 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.098 -178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 44.7 mt-10 -57.81 -41.24 81.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.879 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -69.75 -41.12 75.66 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 120.747 0.308 . . . . 0.0 111.097 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.4 mt -65.11 -35.75 82.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.773 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 39' ' ' ILE . 88.9 mt -62.48 -46.73 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.639 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 71.5 mm-40 -62.78 -46.39 88.22 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.616 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -63.08 -34.39 77.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.121 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.416 ' HB2' ' HB ' ' A' ' 9' ' ' THR . 83.4 t60 -76.84 -42.48 40.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' HD2' ' OD2' ' A' ' 51' ' ' ASP . 8.0 tmm_? -65.68 -35.82 81.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.203 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 99.3 mt-30 -58.14 -34.73 70.58 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.096 0.474 . . . . 0.0 111.379 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.47 -32.72 73.76 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.26 0.552 . . . . 0.0 110.061 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 54' ' ' GLN . 78.5 t80 -74.49 -30.53 61.87 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.38 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' OD2' ' HA ' ' A' ' 48' ' ' GLN . 38.4 m-20 -65.04 -37.69 88.41 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.221 0.534 . . . . 0.0 110.075 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -77.16 -83.66 0.07 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.829 -175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 54' ' ' GLN . 59.6 ttt180 -97.53 -15.83 20.37 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 50' ' ' PHE . 97.2 mt-30 72.75 -68.87 0.21 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 122.8 0.44 . . . . 0.0 112.132 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 50.59 49.5 20.71 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.666 -175.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.53 109.73 2.07 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.22 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.488 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -74.42 -20.57 59.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.428 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -165.72 139.97 4.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.569 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -72.66 -35.48 67.73 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 32.9 tt0 -69.9 -33.74 72.6 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.072 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.12 99.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.284 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -38.45 88.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.044 0.449 . . . . 0.0 110.008 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.98 -44.08 97.49 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.554 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 94.3 mt-30 -67.41 -35.3 79.0 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 177.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -60.78 -47.36 91.61 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.862 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -59.24 -43.3 92.39 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.022 0.439 . . . . 0.0 110.53 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.73 -42.9 99.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.633 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -59.94 -39.38 85.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 109.976 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 92.2 t -65.75 -43.57 93.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.805 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 46.8 mt-30 -63.5 -42.75 98.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.349 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.85 -39.75 92.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.165 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -67.38 -39.04 85.61 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 97.0 mt-30 -59.71 -44.68 93.61 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -63.88 -39.18 93.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.077 177.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -64.99 -48.88 72.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 76' ' ' ARG . 5.1 tpt180 -61.09 -46.01 92.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.899 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 33.8 tt0 -61.02 -35.76 77.72 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.214 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.96 -30.58 69.05 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.851 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.3 mt -73.4 -38.87 54.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -66.43 -35.51 80.49 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.791 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 34.8 mmtp -85.12 -5.25 59.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.672 179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.22 25.32 74.63 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.196 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.62 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -90.29 98.74 11.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.901 0.382 . . . . 0.0 110.408 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -74.91 -25.7 59.11 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.319 -176.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.53 -49.63 74.57 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.683 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.2 m -67.12 -33.3 75.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.023 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 90.2 mt -61.95 -48.4 80.56 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.18 -48.07 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.751 0.31 . . . . 0.0 111.828 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -69.07 -43.99 73.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.89 -35.59 78.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.407 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 21' ' ' ARG . 51.1 tp -61.61 -45.15 95.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.835 0.35 . . . . 0.0 110.621 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.09 -38.74 86.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.221 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -69.5 -36.21 76.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.134 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.12 -44.53 95.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 121.196 0.522 . . . . 0.0 109.942 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 5.2 tm-20 -62.49 -42.72 99.69 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.191 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 49.5 tp60 -69.86 -38.55 76.46 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.133 0.492 . . . . 0.0 110.598 -178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.43 -32.24 73.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.216 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.494 ' HG ' F22C ' A' ' 201' ' ' 7BU . 10.2 tt -68.64 -39.51 80.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 81.9 mm-40 -63.0 -30.13 71.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.274 177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 99.3 mttt -71.92 -44.21 64.04 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 110.471 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.5 HD12 F21C ' A' ' 201' ' ' 7BU . 84.0 mt -67.72 -44.98 85.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.412 -178.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -59.26 -38.15 79.35 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.251 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -60.44 -46.3 90.54 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.347 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.405 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 68.9 mt -67.43 -38.29 84.32 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.787 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.82 -28.19 62.41 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.008 0.432 . . . . 0.0 111.304 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -90.38 -17.98 26.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.745 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -84.27 -23.2 30.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.32 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 104' ' ' LEU . 19.7 ptmt -131.25 138.1 49.17 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.681 -0.637 . . . . 0.0 110.094 -175.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 . . . . . 0 C--O 1.253 1.262 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.739 -179.299 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.714 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 1.6 mp0 -46.67 127.49 9.63 Favored 'General case' 0 C--O 1.243 0.722 0 O-C-N 123.64 0.587 . . . . 0.0 111.93 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -67.53 -19.22 65.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.003 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 42.2 mt-10 -66.55 -48.51 69.43 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.629 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.23 -47.42 76.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.42 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -47.75 -45.38 29.0 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.515 174.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.57 ' HA ' F22D ' A' ' 201' ' ' 7BU . 65.3 mtt180 -67.24 -44.57 79.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.703 0.287 . . . . 0.0 111.361 177.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 98.7 mt-30 -64.35 -30.21 71.26 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -83.25 -17.94 40.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -79.88 -41.35 12.66 Favored Glycine 0 N--CA 1.436 -1.326 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -58.22 -40.49 81.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.493 -0.354 . . . . 0.0 110.739 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 11.5 mm-40 -63.4 -46.94 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.349 178.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD23 F23C ' A' ' 201' ' ' 7BU . 44.8 tp -61.26 -42.61 98.93 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.054 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.6 t -62.97 -46.48 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.352 . . . . 0.0 110.578 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -58.01 -45.34 87.04 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.589 178.625 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.28 -36.22 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.527 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 83.4 t80 -64.49 -39.03 93.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.093 178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.243 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 34.6 mmt180 -64.31 -34.14 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.831 177.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 35.8 tp -60.16 -39.94 88.16 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.015 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 4.8 mmm180 -66.0 -44.97 83.27 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.04 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.09 -53.54 56.54 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 28' ' ' ASP . 90.4 mt -61.34 -37.36 77.47 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.395 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -70.26 -48.33 57.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.892 0.377 . . . . 0.0 110.606 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -62.06 -24.96 67.41 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.183 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.8 mttm -91.36 4.48 52.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.389 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.26 28.61 61.89 Favored Glycine 0 C--N 1.334 0.47 0 N-CA-C 114.648 0.619 . . . . 0.0 114.648 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.594 ' HB3' HG23 ' A' ' 23' ' ' ILE . 16.6 t0 -87.43 82.23 7.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.602 0.701 . . . . 0.0 110.185 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -55.84 -34.29 65.28 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.57 -48.39 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.69 0.281 . . . . 0.0 111.597 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 t -74.03 -31.32 62.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.037 0.446 . . . . 0.0 110.23 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.6 tp -60.63 -42.49 97.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.049 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.99 -40.97 86.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.071 0.462 . . . . 0.0 110.472 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.63 -45.07 95.42 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.116 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' ILE . 64.2 t -68.03 -36.9 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.577 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.4 mt -60.03 -40.61 89.94 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 110.633 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -66.58 -38.52 87.24 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.443 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 35.0 tt0 -67.33 -39.32 85.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.185 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.8 mm -59.17 -47.41 90.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 44.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.343 178.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -70.45 -36.53 73.99 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 120.928 0.394 . . . . 0.0 110.917 -177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 90.8 mt -68.09 -36.36 79.66 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.221 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -60.7 -42.49 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.652 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 94.1 mt-30 -62.99 -47.6 82.46 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.858 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -64.01 -35.21 79.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 111.753 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -76.73 -44.21 34.22 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.413 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -70.54 -39.95 73.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 73.9 mm-40 -59.87 -32.39 70.67 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -176.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.6 -30.29 71.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.347 0.594 . . . . 0.0 110.133 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' O ' ' HG2' ' A' ' 55' ' ' GLU . 83.3 t80 -78.93 -33.98 44.96 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.33 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -80.69 -39.3 27.42 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -53.28 -59.56 4.41 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.947 -178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -161.98 161.66 28.65 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.208 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 59.03 69.22 0.74 Allowed 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.635 0.584 . . . . 0.0 111.516 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 50' ' ' PHE . 44.4 mt-10 -85.06 31.42 0.55 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.49 103.87 16.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.719 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.97 -173.43 4.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -81.35 147.52 29.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.409 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.2 m -77.68 -43.32 31.62 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.655 -177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.93 -37.89 76.05 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 120.702 0.287 . . . . 0.0 110.881 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.61 97.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.451 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.55 87.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.83 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -62.46 -45.23 94.0 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.77 -30.14 70.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.987 0.423 . . . . 0.0 110.456 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.48 -48.4 68.87 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.0 -39.93 95.23 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.703 0.287 . . . . 0.0 111.36 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -65.52 -38.84 90.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.005 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -64.34 -39.25 93.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.028 0.442 . . . . 0.0 110.103 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' GLY . 86.9 t -67.88 -38.95 80.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.091 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.23 -43.8 90.29 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.638 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.28 -39.47 93.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.537 176.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -61.9 -42.09 98.67 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.32 -38.31 86.39 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.142 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -70.22 -41.25 73.84 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.99 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -61.46 -49.04 78.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.618 178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -39.93 95.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.506 178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -63.62 -34.52 78.02 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.086 -178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.5 -32.51 74.15 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.615 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -71.71 -36.41 59.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -67.32 -36.8 82.2 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.563 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -85.25 -5.86 59.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.342 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.69 27.53 73.2 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.879 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.513 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.6 t70 -91.25 96.83 10.77 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.957 0.408 . . . . 0.0 109.988 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -73.37 -29.77 62.85 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.375 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.33 -50.08 74.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.26 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.6 p -68.86 -30.4 68.91 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.3 mt -59.77 -48.83 80.1 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -176.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -58.96 -45.91 89.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.328 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -67.23 -45.95 75.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.785 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.17 -36.82 77.77 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.712 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.4 tp -62.31 -45.01 95.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.454 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 51.0 mm-40 -62.27 -40.53 96.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.888 0.375 . . . . 0.0 110.059 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.87 -38.41 91.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.36 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.78 -46.17 91.54 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.746 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.8 -43.43 98.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.587 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 75.5 mm-40 -68.11 -40.59 82.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.902 -177.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -70.07 -39.69 75.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.233 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.664 ' HG ' F22C ' A' ' 201' ' ' 7BU . 4.6 tt -61.7 -46.64 88.81 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.12 0.486 . . . . 0.0 110.04 178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.82 -33.49 74.23 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.483 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 55.5 mmtt -71.94 -41.4 67.86 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.558 HD12 F21C ' A' ' 201' ' ' 7BU . 88.5 mt -60.53 -45.16 97.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.647 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 102' ' ' ARG . 19.4 ttt180 -65.17 -30.99 71.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -73.32 -30.23 63.22 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.08 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 84.8 mt -74.37 -25.86 59.76 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 121.25 0.547 . . . . 0.0 109.619 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.67 -15.62 61.6 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.979 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -103.18 5.61 37.85 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.7 tptm 53.98 -79.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 126.357 1.863 . . . . 0.0 114.016 -175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 77.0 tttt 66.77 84.82 0.15 Allowed 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -175.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t30 . . . . . 0 C--N 1.319 -0.727 0 CA-C-O 118.568 -0.73 . . . . 0.0 109.666 -178.296 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.715 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 CA--C 1.514 -0.412 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 58.79 77.16 0.31 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 123.848 0.717 . . . . 0.0 110.176 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.449 ' HA ' ' CD2' ' A' ' 6' ' ' LEU . 50.3 p90 -58.3 -33.0 68.98 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.423 -175.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.33 -47.81 84.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.091 0.472 . . . . 0.0 110.479 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.16 -50.87 43.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.378 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 3' ' ' PHE . 4.0 pp -53.65 -42.53 67.95 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 120.201 -0.599 . . . . 0.0 112.078 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.631 ' HA ' F22D ' A' ' 201' ' ' 7BU . 23.1 mmm180 -62.66 -46.31 88.8 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 120.991 0.424 . . . . 0.0 110.58 174.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 55.5 tp60 -61.14 -47.68 85.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.578 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 p -65.41 -26.52 68.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.859 0.361 . . . . 0.0 111.386 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.498 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -73.28 -52.23 8.99 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.26 -39.74 83.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.55 0.214 . . . . 0.0 111.353 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 8' ' ' GLN . 41.5 mt-10 -62.14 -42.21 99.02 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 110.082 176.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.4 tp -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.596 177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 10' ' ' GLY . 73.3 t -60.55 -46.33 95.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.87 0.367 . . . . 0.0 110.185 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 72.9 mm-40 -57.82 -46.8 84.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.211 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.59 -36.73 81.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.755 0.312 . . . . 0.0 111.04 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.29 -40.05 95.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.041 0.448 . . . . 0.0 109.882 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -61.88 -41.87 98.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.732 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 16.5 mmt180 -66.63 -34.84 78.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.205 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.39 -39.4 93.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.977 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.484 ' HD2' HD21 ' A' ' 91' ' ' LEU . 5.4 tpt180 -63.99 -43.26 96.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.355 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 36.2 mt-10 -60.94 -50.82 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.126 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 19' ' ' ARG . 50.9 mm -56.91 -36.3 49.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -68.0 -47.54 68.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.774 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -60.77 -25.31 66.42 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 64.7 mttm -91.42 0.42 57.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.22 28.94 55.5 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 116.329 -0.396 . . . . 0.0 113.955 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -90.47 87.24 6.69 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 117.392 0.596 . . . . 0.0 110.885 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.39 -31.75 62.07 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.399 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.29 -49.5 60.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.975 0.417 . . . . 0.0 111.292 -176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -75.09 -32.66 61.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.054 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 27.1 tp -60.5 -42.07 95.59 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.822 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.3 -40.19 81.81 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.736 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.86 -44.71 80.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.2 -35.16 73.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.294 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 9.6 tp -61.57 -36.91 81.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.898 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.4 -40.24 81.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 6.3 tp10 -63.18 -42.71 99.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.527 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.54 ' O ' HG12 ' A' ' 43' ' ' ILE . 63.5 mt -65.44 -46.96 88.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.645 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -57.12 -42.38 80.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.694 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.61 -34.31 75.54 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.055 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 79.4 mt -65.26 -34.29 78.01 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 39' ' ' ILE . 46.5 mm -60.48 -46.62 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.779 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -62.97 -43.02 99.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.888 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.51 -36.01 82.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.338 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -78.07 -43.4 29.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.231 0.538 . . . . 0.0 109.637 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.612 ' HD2' F23B ' A' ' 201' ' ' 7BU . 7.4 tpt180 -60.33 -43.82 96.06 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.016 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -58.2 -43.53 87.65 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 76.4 mt -63.48 -28.51 70.01 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.846 0.355 . . . . 0.0 111.67 -177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -78.56 -36.78 44.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -78.92 -26.83 43.69 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -175.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -46.4 -52.65 12.55 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.509 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 3.3 mmp_? -145.21 -12.43 0.54 Allowed 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -176.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 66.3 155.97 0.1 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.097 0.475 . . . . 0.0 110.743 -176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -145.82 28.91 1.13 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.282 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 64.68 -81.84 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.537 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 60.6 -81.9 0.02 OUTLIER 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.839 0.855 . . . . 0.0 112.172 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -169.79 135.15 1.43 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -74.09 -43.13 58.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -61.78 -40.21 94.4 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.973 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.38 96.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.43 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.6 94.44 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 67' ' ' GLN . 27.7 mtpp -62.0 -44.11 97.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.22 -30.69 71.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.199 0.523 . . . . 0.0 109.812 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.53 -47.78 83.97 Favored Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.775 178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -62.96 -39.15 93.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.773 0.32 . . . . 0.0 110.73 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 97.5 mt-30 -61.85 -43.61 98.5 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.629 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -65.04 -38.1 89.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.162 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.1 -42.48 95.74 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 64.6 tt0 -66.02 -43.64 87.02 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.116 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.424 HD13 ' HG3' ' A' ' 93' ' ' GLU . 57.9 mt -62.85 -41.28 99.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.555 178.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -66.14 -38.47 88.21 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 5.5 tp-100 -62.35 -44.11 97.24 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.626 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 29.5 mmm180 -63.86 -39.01 93.21 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.223 0.535 . . . . 0.0 109.988 176.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.27 -47.42 86.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.37 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -60.28 -44.15 95.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.677 178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 39.1 mt-10 -62.29 -34.12 75.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.008 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.79 92.74 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.067 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.4 -35.63 59.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.934 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.01 -37.23 84.09 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.066 0.46 . . . . 0.0 109.807 177.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.72 -0.64 57.19 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.899 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.58 16.7 65.83 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.354 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -89.95 75.98 7.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.405 0.621 . . . . 0.0 111.733 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 87' ' ' LEU . 99.9 mttt -57.34 -22.93 45.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.709 176.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -62.09 -44.43 96.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.033 0.444 . . . . 0.0 110.01 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 m -69.92 -31.59 69.44 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.29 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 84' ' ' LYS . 73.9 mt -60.29 -42.39 95.36 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.955 -177.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.65 -47.44 84.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -70.23 -45.89 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.469 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 98.8 mt -65.92 -34.67 78.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.311 -178.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.484 HD21 ' HD2' ' A' ' 21' ' ' ARG . 26.6 tp -69.67 -38.74 77.17 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 32.8 tt0 -62.12 -44.45 96.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' HG3' HD13 ' A' ' 71' ' ' LEU . 14.1 tp10 -63.61 -38.99 93.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.901 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 72.8 mt -63.96 -44.46 92.73 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 51.4 mt-10 -60.64 -45.32 94.53 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.992 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 47.5 mt-30 -67.92 -38.54 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 0.0 111.123 -178.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -69.32 -40.94 77.32 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.089 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.8 tt -61.0 -42.5 98.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.18 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 82.3 mm-40 -61.77 -37.8 85.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.269 178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.91 -44.82 63.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 111.119 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.534 HD12 F21C ' A' ' 201' ' ' 7BU . 89.4 mt -61.36 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.345 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.68 ' O ' ' HG2' ' A' ' 106' ' ' GLU . 3.2 mtp180 -58.68 -42.49 88.62 Favored 'General case' 0 C--O 1.215 -0.742 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.429 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -42.6 93.93 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.875 0.369 . . . . 0.0 111.025 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.68 -34.82 67.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.367 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.52 67.98 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.904 0.383 . . . . 0.0 111.237 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' A' ' 102' ' ' ARG . 42.3 mm-40 -68.22 -19.3 64.74 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.741 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 53.7 mtmt 70.46 -31.51 0.22 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.991 0.916 . . . . 0.0 113.387 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 106' ' ' GLU . 40.7 ttmt 173.99 -42.48 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.224 0.535 . . . . 0.0 109.6 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 118.448 -0.787 . . . . 0.0 111.056 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.719 F21D ' C3C' ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 41.0 m . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 120.51 0.195 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -79.84 -50.02 11.12 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -63.26 -27.63 69.48 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.659 0.742 . . . . 0.0 109.406 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 1' ' ' SER . 36.5 tt0 -55.94 -39.03 71.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.689 -1.142 . . . . 0.0 110.724 175.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -66.18 -41.66 89.99 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 tt -51.74 -54.08 32.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.834 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.594 ' HA ' F22D ' A' ' 201' ' ' 7BU . 26.9 ptt180 -64.57 -39.07 93.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 120.289 -0.565 . . . . 0.0 111.45 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.97 -45.78 91.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.315 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.4 p -65.91 -23.97 66.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.993 0.425 . . . . 0.0 111.245 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.43 -53.08 9.11 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.42 -33.85 71.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.92 -46.38 89.6 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.463 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.96 -41.11 95.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.587 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 87.3 t -63.35 -47.42 92.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.479 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.38 -44.96 84.89 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.867 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.6 -35.5 81.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.559 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 71.7 t80 -69.4 -39.66 77.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.181 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.8 mt-30 -65.24 -34.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.355 0.598 . . . . 0.0 109.415 178.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -69.4 -35.7 76.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.295 176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HB2' HD11 ' A' ' 39' ' ' ILE . 44.3 tp -61.67 -36.08 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.452 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HD2' HD21 ' A' ' 91' ' ' LEU . 6.9 tpt180 -60.81 -47.19 87.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.232 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.03 -52.11 65.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.931 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 ' OG ' ' A' ' 31' ' ' SER . 49.1 mm -56.12 -39.03 56.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.17 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -69.63 -48.0 61.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.781 0.324 . . . . 0.0 110.65 -178.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.15 -21.3 64.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.488 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -80.68 -4.94 56.17 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.486 0.184 . . . . 0.0 111.134 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.69 26.04 52.52 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 121.569 -0.348 . . . . 0.0 113.764 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 9.3 t0 -93.58 86.24 5.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.432 0.616 . . . . 0.0 110.607 -178.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' HA ' HD12 ' A' ' 32' ' ' LEU . 36.2 m-20 -58.43 -29.75 66.37 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.221 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -71.0 -42.53 69.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.903 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 28' ' ' ASP . 94.0 p -73.25 -30.67 63.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.583 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 29' ' ' ASP . 20.8 mt -61.47 -40.64 95.26 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.772 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 12.3 tp10 -59.93 -41.53 92.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.655 -176.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -70.41 -40.92 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.167 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.9 t -69.4 -37.87 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.423 . . . . 0.0 110.645 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 49.8 mt -61.97 -34.81 76.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.173 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 51.9 mt-10 -66.99 -38.54 86.22 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.236 0.541 . . . . 0.0 109.731 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 17.0 tp10 -65.04 -44.71 88.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.576 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 20' ' ' LEU . 71.0 mt -65.83 -48.28 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.327 -178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -58.26 -37.9 75.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -68.93 -35.43 76.79 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.874 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 85.5 mt -67.66 -36.04 79.98 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.734 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 39' ' ' ILE . 84.4 mt -61.25 -43.97 97.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -67.87 -44.49 76.96 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.247 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.94 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 0.0 111.187 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -74.88 -44.13 50.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.307 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.3 ttt180 -71.41 -30.19 65.79 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.48 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.45 -37.74 76.08 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.23 0.538 . . . . 0.0 110.188 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.38 -37.47 71.59 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.968 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -69.65 -30.07 67.68 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.86 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -69.12 -28.33 66.37 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.178 0.513 . . . . 0.0 110.041 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -80.11 39.02 0.43 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.668 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 70.49 -80.17 0.04 OUTLIER 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.964 0.906 . . . . 0.0 112.069 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 57.33 -155.88 0.32 Allowed 'General case' 0 C--O 1.239 0.512 0 O-C-N 123.459 0.474 . . . . 0.0 110.594 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -92.01 155.65 17.97 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.81 91.21 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 123.19 0.306 . . . . 0.0 110.835 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.92 -71.7 0.08 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.915 0.886 . . . . 0.0 112.191 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -162.23 134.48 5.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.187 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.7 m -71.71 -45.46 61.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.241 -0.436 . . . . 0.0 112.032 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.2 -33.07 71.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.075 0.464 . . . . 0.0 111.08 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.45 99.09 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.59 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.72 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.48 -44.23 94.98 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.616 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -63.51 -38.48 91.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.216 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.08 -41.97 99.64 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.888 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 3.5 m-20 -62.14 -41.0 97.83 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.293 0.547 . . . . 0.0 110.938 178.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -62.87 -41.58 99.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.169 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.79 -38.77 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.124 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 65' ' ' GLY . 96.8 t -66.27 -41.33 88.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.032 -179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 13.1 mm100 -66.44 -41.72 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.211 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.67 -39.37 94.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.52 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.417 ' N ' HD21 ' A' ' 94' ' ' LEU . 72.4 t80 -66.92 -38.6 86.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.524 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 26.9 mt-30 -64.32 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.106 177.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.8 mtt180 -63.66 -37.42 87.26 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.42 -45.41 94.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.498 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -63.68 -41.88 98.1 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -62.53 -38.19 89.02 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.413 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.03 83.97 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.535 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -60.31 -44.45 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 120.76 0.314 . . . . 0.0 111.141 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.91 -36.8 83.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.21 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -86.61 -1.74 57.92 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.809 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.06 25.54 73.3 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.364 -0.446 . . . . 0.0 113.917 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 9.9 t70 -92.72 95.56 9.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.098 0.475 . . . . 0.0 109.773 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' A' ' 87' ' ' LEU . 36.8 mtmm -74.75 -32.49 62.1 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.898 -177.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.22 -41.22 92.58 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.935 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.8 m -72.33 -30.33 64.65 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.478 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 92.1 mt -59.68 -47.77 84.33 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -175.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.87 -46.73 84.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.804 0.335 . . . . 0.0 110.946 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 38.8 tt0 -68.67 -47.56 66.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.738 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.31 -36.56 84.1 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.583 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.495 HD21 ' HD2' ' A' ' 21' ' ' ARG . 42.7 tp -67.79 -41.49 83.1 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.974 0.416 . . . . 0.0 109.95 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.43 -40.06 85.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.482 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 89' ' ' GLN . 42.9 mt-10 -67.04 -37.08 83.46 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.873 0.368 . . . . 0.0 110.102 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 72' ' ' PHE . 29.9 mt -63.8 -45.82 87.93 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.801 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -61.85 -43.78 98.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.474 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 46.8 tp60 -69.06 -37.33 78.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.795 0.331 . . . . 0.0 110.736 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.83 83.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 109.666 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.637 ' HG ' F22C ' A' ' 201' ' ' 7BU . 5.9 tt -62.15 -44.07 97.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.638 177.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.0 -31.1 71.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.444 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 96.9 mttt -72.2 -42.97 65.2 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.44 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.521 HD12 F21C ' A' ' 201' ' ' 7BU . 91.3 mt -61.56 -47.56 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.223 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -60.91 -38.49 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.782 177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.17 -46.37 90.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.906 0.384 . . . . 0.0 110.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.4 mt -72.85 -36.93 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.774 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.19 -35.88 63.99 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -90.61 -21.74 21.57 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.029 -0.269 . . . . 0.0 111.286 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.9 mttm 46.86 -91.26 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -138.9 29.0 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.111 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.457 HD22 ' N ' ' A' ' 109' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.671 -178.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.723 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 120.683 0.278 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.594 ' OE2' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -90.03 -32.9 16.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.34 -178.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -54.91 -33.95 62.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.387 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 32.1 mt-10 -59.03 -54.98 41.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.065 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -68.26 -39.5 82.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.999 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -49.92 -52.47 33.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.55 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HA ' F22D ' A' ' 201' ' ' 7BU . 98.8 mtt180 -62.97 -44.66 95.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.357 176.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 77.4 mt-30 -60.36 -46.29 90.48 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.898 -178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -65.75 -23.43 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 111.116 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -73.11 -48.69 18.94 Favored Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 176.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 28.9 m-20 -58.78 -43.44 90.44 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.587 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -61.25 -44.41 97.29 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.264 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.8 tp -61.16 -41.49 96.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.703 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 71.7 t -63.22 -42.93 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.721 0.296 . . . . 0.0 110.257 177.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -58.05 -42.74 86.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.588 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.05 -35.96 77.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.587 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 74.0 t80 -63.91 -38.25 90.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.736 177.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 97.1 mt-30 -63.4 -38.53 91.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.59 176.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 90.5 mtt180 -62.88 -36.41 83.2 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 57.9 tp -59.61 -40.42 87.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.47 -177.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.3 mmm180 -66.27 -48.96 68.76 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 120.283 -0.567 . . . . 0.0 111.195 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -66.15 -31.26 72.0 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.401 -175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.728 HG23 ' HB3' ' A' ' 28' ' ' ASP . 93.0 mt -79.62 -40.48 21.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.592 0.71 . . . . 0.0 109.918 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -71.75 -47.9 50.5 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.622 -177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -62.36 -27.54 69.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.479 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.03 2.38 55.27 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.9 29.5 74.36 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.507 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.728 ' HB3' HG23 ' A' ' 23' ' ' ILE . 14.9 t0 -80.27 102.23 9.38 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.241 0.543 . . . . 0.0 110.408 -179.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -73.9 -43.34 58.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.372 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.25 -47.97 77.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.92 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.7 t -73.35 -32.13 64.36 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.931 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.1 tp -60.25 -48.22 82.68 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.575 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.94 -46.06 88.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.704 0.288 . . . . 0.0 111.211 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -62.0 -45.83 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 23' ' ' ILE . 58.6 t -67.92 -33.81 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.002 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 91.3 mt -60.05 -35.79 75.9 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.892 -0.411 . . . . 0.0 109.892 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -66.62 -38.15 86.34 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.212 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.2 mt-10 -69.09 -42.1 76.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.358 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 43' ' ' ILE . 79.6 mt -61.45 -49.02 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.172 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -59.29 -37.61 78.12 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 178.139 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.92 -38.97 92.75 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 94.8 mt -69.21 -35.78 76.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.053 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 39' ' ' ILE . 73.7 mt -62.7 -41.67 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 78.4 mt-30 -62.35 -45.27 93.95 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.342 176.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -61.24 -37.4 82.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.923 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -76.73 -40.64 47.9 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' NE ' HG22 ' A' ' 43' ' ' ILE . 75.9 mtm180 -66.42 -44.14 83.74 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.933 176.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -58.42 -40.69 83.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.584 -174.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.75 -37.62 82.37 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.092 0.472 . . . . 0.0 110.282 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -73.76 -29.5 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.251 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.02 -30.46 55.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.591 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.51 -70.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.484 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HD2' ' OE2' ' A' ' 2' ' ' GLU . 30.3 ttm180 -125.21 170.28 11.41 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' H ' ' HG2' ' A' ' 53' ' ' ARG . 84.9 mm-40 75.8 153.12 0.14 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.906 0.86 . . . . 0.0 112.516 176.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -123.09 174.2 7.38 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.97 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.23 95.01 4.87 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.823 0.344 . . . . 0.0 110.737 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.2 95.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.661 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -116.13 129.54 56.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.898 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.0 m -75.6 -39.16 58.4 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.009 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 8.3 tp10 -63.01 -46.61 86.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.641 0.258 . . . . 0.0 110.627 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.22 91.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.295 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.75 -42.01 97.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.405 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -63.11 -45.08 93.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.196 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 84.5 mm-40 -65.15 -33.1 75.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.91 -49.18 60.3 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.465 179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 9.5 m-20 -62.17 -38.93 90.93 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 176.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -62.21 -42.06 98.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.337 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 74.1 t90 -62.26 -39.65 93.61 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.946 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 65' ' ' GLY . 87.4 t -66.71 -41.76 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.387 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 85.1 mm-40 -67.6 -38.56 84.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.011 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -40.15 94.08 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.452 177.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -61.8 -40.62 95.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.189 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -62.35 -41.1 98.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.28 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.36 -41.41 93.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.953 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.47 -48.48 80.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.473 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -41.59 92.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.87 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.36 -33.04 70.97 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.981 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.27 -32.96 74.76 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.373 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.9 mt -67.89 -35.32 71.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -67.82 -32.05 72.33 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.022 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -85.22 -5.01 59.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.5 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.01 22.35 75.83 Favored Glycine 0 C--O 1.228 -0.273 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.29 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -91.12 98.29 11.67 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.05 0.452 . . . . 0.0 110.799 -177.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -73.47 -28.92 62.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.566 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -59.79 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.668 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 90' ' ' LEU . 16.4 m -67.07 -31.09 71.36 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.616 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 75.3 mt -60.18 -48.19 82.75 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.725 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -60.34 -45.9 91.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.189 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -68.22 -45.91 71.99 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.974 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 86' ' ' SER . 94.8 mt -67.54 -32.78 73.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.102 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -62.66 -44.76 95.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.3 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.93 -39.93 90.94 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.014 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.0 -35.67 81.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.872 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.6 -40.82 93.24 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.9 tm-20 -64.12 -43.44 95.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.554 178.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -68.46 -39.62 81.37 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.117 0.484 . . . . 0.0 111.244 -176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.77 -42.75 73.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.043 178.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 102' ' ' ARG . 10.1 tt -61.37 -41.62 97.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.253 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 79.2 mm-40 -60.84 -37.83 83.4 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.316 178.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 34.9 mtmm -69.53 -42.12 75.09 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.754 0.311 . . . . 0.0 111.274 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.505 HD12 F21C ' A' ' 201' ' ' 7BU . 92.5 mt -63.86 -47.6 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.423 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 98' ' ' LEU . 0.7 OUTLIER -62.22 -40.55 96.49 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.83 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 64.1 mt-10 -60.74 -36.2 78.27 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.017 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 100' ' ' LYS . 97.7 mt -69.47 -39.54 77.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 110.56 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.48 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.055 0.455 . . . . 0.0 110.983 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -84.83 -13.6 50.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.099 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.7 tptp 68.07 9.1 6.96 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.241 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 73.1 tttt 40.79 85.82 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.395 1.078 . . . . 0.0 112.165 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.312 -1.045 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.965 -177.751 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.68 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.751 0.31 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -53.35 39.43 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.677 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -67.45 -24.56 65.63 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.342 0.591 . . . . 0.0 110.074 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.48 -48.84 71.24 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.606 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -67.56 -44.44 78.26 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 tp -49.96 -53.49 25.98 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.423 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.582 ' HG3' F22D ' A' ' 201' ' ' 7BU . 19.1 ttt180 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 177.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 54.5 tt0 -59.35 -45.71 90.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.203 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.3 p -65.01 -21.46 66.85 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.887 0.375 . . . . 0.0 111.393 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -74.75 -47.34 15.07 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 177.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 3.6 m-20 -54.91 -45.37 74.75 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.87 175.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.3 mm-40 -60.64 -43.53 97.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.267 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.71 -43.88 97.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.892 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 68.7 t -61.6 -45.51 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.542 177.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 56.8 mt-30 -56.58 -45.62 81.26 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.812 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -36.45 84.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD2' HD13 ' A' ' 98' ' ' LEU . 83.9 t80 -67.5 -40.14 85.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.779 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.2 mt-30 -62.17 -43.1 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.29 0.567 . . . . 0.0 109.621 177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -64.3 -35.97 82.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.288 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.81 -39.97 93.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -62.89 -48.4 79.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.825 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 5.9 mm-40 -62.78 -52.28 63.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.879 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 28' ' ' ASP . 93.2 mt -55.75 -36.32 42.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.838 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -69.18 -48.69 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.27 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -63.59 -31.39 72.54 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.79 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 57.3 mttm -87.53 3.6 46.78 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.77 29.45 73.99 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.032 -0.604 . . . . 0.0 114.164 176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.638 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.8 t70 -81.44 103.0 10.88 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.8 m-20 -70.25 -43.32 70.79 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.948 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -68.8 -47.81 65.17 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 t -70.18 -33.09 71.31 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.243 -177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 48.8 tp -59.67 -47.25 86.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.216 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 50.9 mt-10 -61.05 -46.49 90.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.052 178.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -60.98 -45.58 94.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.613 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 39' ' ' ILE . 59.6 t -63.58 -33.9 64.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.407 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.9 mt -59.87 -38.87 83.41 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.819 -0.173 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.3 mp0 -68.63 -37.85 80.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.74 -43.31 84.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 67.7 mt -61.57 -46.23 96.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.174 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.51 -34.38 69.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.171 177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 59.3 mm-40 -69.16 -40.83 77.93 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.985 0.421 . . . . 0.0 110.684 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.62 -36.83 76.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.181 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.3 mt -61.53 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.367 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.33 -45.43 91.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.102 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -68.24 -33.9 75.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -75.85 -43.95 43.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.106 0.479 . . . . 0.0 109.73 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 47' ' ' ARG . 21.7 ttt180 -67.67 -33.21 74.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.626 178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -62.89 -31.75 72.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.874 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.12 -27.95 61.11 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.418 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -76.83 -26.76 54.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.859 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -59.57 -33.93 72.05 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.773 0.32 . . . . 0.0 111.391 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -134.27 132.32 39.48 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 75.67 72.72 0.09 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.79 0.836 . . . . 0.0 109.608 -174.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -85.16 81.85 8.66 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.988 -177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -83.41 135.87 34.53 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.698 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 63.14 31.34 15.79 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.684 0.615 . . . . 0.0 109.813 -176.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.56 154.52 8.57 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.715 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -178.33 147.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.496 -177.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -77.59 -40.38 42.42 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.963 0.411 . . . . 0.0 110.472 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -67.42 -45.82 74.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.727 -176.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.04 -44.49 97.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.352 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.07 -37.0 86.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.34 -45.5 92.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.841 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -70.87 -29.6 65.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.853 0.358 . . . . 0.0 110.393 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -63.83 -48.4 76.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.71 -36.54 84.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.755 0.312 . . . . 0.0 110.946 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.13 -43.63 98.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.06 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -64.76 -38.18 90.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.126 -179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 65' ' ' GLY . 90.7 t -64.64 -45.55 95.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.5 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.8 -38.95 87.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.593 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.414 HD13 ' HG3' ' A' ' 93' ' ' GLU . 85.2 mt -65.01 -42.57 94.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 177.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -67.08 -41.95 85.47 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.282 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.32 -44.45 95.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.3 -40.24 89.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.451 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.54 -48.62 78.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.422 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG2' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -63.31 -40.02 96.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.238 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.89 -34.71 79.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.37 0.605 . . . . 0.0 109.746 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.69 -30.34 69.84 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.798 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.9 mt -71.5 -35.71 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -68.47 -33.96 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.996 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -82.76 -8.25 59.6 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.775 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.46 25.4 74.85 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.209 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.681 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.4 t70 -92.57 98.5 11.48 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.981 0.42 . . . . 0.0 110.709 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -73.49 -30.88 63.43 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.441 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.69 -48.56 80.24 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.698 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.5 p -71.28 -31.12 67.09 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.608 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 81.8 mt -60.41 -48.97 79.44 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -176.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 50.2 mt-10 -60.92 -45.94 92.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.806 0.336 . . . . 0.0 111.335 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 89' ' ' GLN . 1.1 tm0? -66.51 -43.59 84.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.32 -34.82 76.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.266 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 29.9 tp -66.65 -41.82 87.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.865 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 47.0 mm-40 -62.26 -40.24 95.54 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.045 0.45 . . . . 0.0 109.957 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' HD13 ' A' ' 71' ' ' LEU . 13.2 tp10 -68.24 -37.04 80.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.095 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -62.3 -45.3 93.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 120.862 0.363 . . . . 0.0 110.51 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.43 -41.37 97.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.002 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.663 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 32.1 tt0 -69.71 -42.4 74.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.459 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.64 84.61 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.642 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.558 ' HG ' F22C ' A' ' 201' ' ' 7BU . 2.9 tt -63.45 -41.67 98.64 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 6.1 tp-100 -66.91 -29.07 68.85 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.456 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 78.9 mttt -70.33 -44.76 67.54 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.507 HD12 F21C ' A' ' 201' ' ' 7BU . 91.4 mt -63.64 -45.63 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.958 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -58.17 -39.94 80.15 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 45.9 mt-10 -60.98 -46.05 92.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.619 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.22 -38.03 75.15 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.86 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.02 -35.13 66.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.633 0.254 . . . . 0.0 111.546 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -86.62 -8.66 57.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.21 0.529 . . . . 0.0 109.724 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 68.53 12.5 8.72 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.146 -0.933 . . . . 0.0 110.452 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 66.64 -42.62 0.41 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.67 1.188 . . . . 0.0 113.053 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.4 t30 . . . . . 0 C--O 1.247 0.923 0 C-N-CA 123.443 0.697 . . . . 0.0 111.257 179.622 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.747 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.633 0.254 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.45 76.2 3.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.173 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -69.25 -35.85 76.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.668 0.27 . . . . 0.0 111.505 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.6 -47.81 74.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.09 0.472 . . . . 0.0 110.361 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -65.83 -25.06 67.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.18 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.4 tp -70.68 -51.86 24.93 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' HA ' F22D ' A' ' 201' ' ' 7BU . 9.3 tpt180 -63.25 -43.18 98.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.95 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 23.1 tm0? -60.6 -44.87 95.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.019 -177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.6 p -70.8 -22.87 62.31 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.982 0.42 . . . . 0.0 110.964 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -72.11 -49.66 20.67 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 178.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.05 -40.16 80.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.572 -0.314 . . . . 0.0 111.692 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 8' ' ' GLN . 18.4 mm-40 -64.15 -42.52 96.72 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.799 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD12 F23C ' A' ' 201' ' ' 7BU . 3.3 tm? -60.87 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.036 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.7 t -60.98 -42.55 93.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 110.075 178.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -60.84 -43.5 98.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.23 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -36.39 83.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.979 0.419 . . . . 0.0 110.36 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -67.48 -38.68 84.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.007 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -68.51 -38.15 80.66 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.924 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' O ' HG13 ' A' ' 23' ' ' ILE . 8.0 tpm_? -69.57 -35.2 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.71 -42.56 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.871 -1.058 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -67.88 -35.62 78.82 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.65 -37.06 79.37 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.488 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' ARG . 77.8 mt -76.04 -36.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.624 0.726 . . . . 0.0 109.696 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.24 -46.32 67.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.155 -176.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -61.66 -22.84 65.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.451 -178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -92.01 3.56 54.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.97 28.39 73.44 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.945 -0.645 . . . . 0.0 113.223 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 23' ' ' ILE . 9.7 t70 -86.53 102.22 13.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.293 0.568 . . . . 0.0 110.531 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -76.05 -42.55 47.31 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.304 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.77 -47.42 83.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.989 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 t -73.17 -31.33 64.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 49.9 tp -59.35 -48.25 82.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.29 -47.17 84.48 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.969 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -60.84 -46.32 91.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.614 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.01 -34.17 68.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.927 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 97.7 mt -59.23 -43.81 92.36 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.136 -178.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -67.46 -34.87 78.07 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 46.3 mt-10 -69.92 -43.13 72.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 43' ' ' ILE . 62.7 mt -59.78 -47.91 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.951 177.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 45.9 mt-10 -58.51 -37.23 75.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.94 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 30.4 tt0 -68.94 -35.99 77.43 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.452 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 95.9 mt -69.21 -36.5 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.155 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 39' ' ' ILE . 80.6 mt -60.6 -40.83 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.481 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 69.8 mt-30 -63.7 -44.13 94.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.341 178.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 65.3 mttm -61.61 -37.51 84.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.773 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -77.25 -44.47 29.76 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -67.55 -35.26 78.71 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.623 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -58.66 -34.88 71.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.61 -30.97 70.7 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.197 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -77.09 -31.48 55.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.064 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -71.76 -28.15 63.44 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.273 0.559 . . . . 0.0 110.058 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -80.13 19.45 0.73 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.694 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -161.21 176.19 11.52 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -119.8 -47.94 2.39 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.494 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 2.6 mp0 -51.7 116.23 2.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.282 177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.21 148.16 24.93 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.174 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.49 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -73.63 -14.92 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.898 0.38 . . . . 0.0 110.918 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 15.5 t70 -172.64 139.34 0.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 23.9 m -76.53 -46.64 25.62 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -176.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -70.61 -33.43 71.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.011 0.434 . . . . 0.0 110.972 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 58' ' ' ASP . . . -61.97 -41.43 97.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.801 -178.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' HB2' F22A ' A' ' 201' ' ' 7BU . . . -65.53 -42.35 92.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 23.1 tptm -63.87 -43.91 94.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.255 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.02 -38.62 91.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.105 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -42.17 99.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.064 178.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.34 -44.42 97.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.009 0.433 . . . . 0.0 110.485 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 25.8 mm-40 -65.49 -36.07 82.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -62.45 -38.94 91.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.917 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 65' ' ' GLY . 88.1 t -66.41 -38.06 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.754 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 89.8 mt-30 -69.27 -39.44 78.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.918 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.95 -39.94 93.82 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -63.54 -37.7 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.698 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 79.0 mt-30 -62.59 -38.94 92.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 177.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.8 mmt180 -66.17 -37.69 86.25 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.7 -46.62 88.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.338 177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -61.22 -41.21 96.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.147 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 49.3 mt-10 -65.84 -36.5 83.65 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 120.914 0.388 . . . . 0.0 110.156 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.62 89.39 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.74 -42.53 92.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.871 0.367 . . . . 0.0 110.746 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -68.19 -30.67 69.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.03 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -90.63 0.45 57.38 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.81 19.65 75.28 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.152 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.505 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -88.46 95.03 10.06 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.026 0.441 . . . . 0.0 110.002 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 87' ' ' LEU . 16.6 ptpt -76.52 -28.79 56.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.961 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.35 -49.51 76.95 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.0 m -63.37 -30.86 71.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.441 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 84' ' ' LYS . 93.9 mt -60.11 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.331 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 36.6 mt-10 -62.86 -41.62 99.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.929 0.395 . . . . 0.0 111.182 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -66.76 -45.29 79.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.38 -34.4 75.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.563 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.43 -43.9 96.13 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 110.755 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 27.9 mm-40 -68.35 -35.92 78.46 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.195 178.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.62 -44.2 91.3 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.159 0.504 . . . . 0.0 109.774 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.6 mt -61.35 -41.47 97.11 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.177 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.42 -46.12 91.15 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.329 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -66.68 -42.89 85.82 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.89 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.551 ' O ' HG13 ' A' ' 101' ' ' ILE . . . -67.32 -45.55 76.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.405 -178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.1 tt -62.04 -45.86 91.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.769 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -62.02 -41.19 97.82 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.598 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.0 -36.95 80.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.457 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 97' ' ' ALA . 99.6 mt -61.61 -45.27 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -58.04 -44.49 87.4 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.365 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.93 -41.86 97.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.341 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.06 -38.47 66.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.65 -31.98 62.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.976 0.417 . . . . 0.0 111.777 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -82.76 -34.19 27.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.106 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.7 mttm 58.33 -81.35 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 123.89 0.876 . . . . 0.0 112.508 -177.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 59.2 tttp 57.38 40.95 27.09 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.603 0.716 . . . . 0.0 109.549 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.265 -177.326 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.754 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.8 m . . . . . 0 N--CA 1.468 0.425 0 CA-C-O 120.869 0.366 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -60.2 -36.97 78.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.404 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -59.18 -31.69 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.425 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.46 -51.51 50.53 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.705 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.3 -27.81 69.58 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.273 0.558 . . . . 0.0 110.622 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.98 -53.4 13.14 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.601 ' HA ' F22D ' A' ' 201' ' ' 7BU . 66.6 ttt-85 -63.77 -39.74 95.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.335 177.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -60.73 -47.18 87.45 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.516 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.2 p -64.44 -23.07 67.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.184 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.524 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -76.63 -48.65 8.73 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 176.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 15' ' ' GLN . 49.1 m-20 -59.01 -44.98 91.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 122.284 0.233 . . . . 0.0 110.898 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.25 -40.1 95.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.886 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.91 -38.88 83.56 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 102' ' ' ARG . 64.8 t -66.83 -41.44 87.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 11' ' ' ASP . 96.6 mt-30 -60.95 -38.53 86.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.527 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.36 -35.43 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.174 0.511 . . . . 0.0 109.821 176.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -67.23 -38.67 85.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.997 179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.73 -37.27 86.72 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -64.98 -39.59 93.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.915 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.94 -38.55 82.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -47.63 84.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.992 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 26' ' ' LYS . 47.0 mt-10 -66.54 -52.86 41.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.464 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.0 mt -55.42 -34.12 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.84 -44.04 94.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.79 -21.33 61.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.533 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.2 mttt -90.58 -13.12 35.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.218 -177.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.63 28.81 73.75 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.133 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.27 80.75 3.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.126 0.488 . . . . 0.0 110.664 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.1 -29.73 45.81 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.459 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -63.42 -50.24 70.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.044 0.449 . . . . 0.0 110.835 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.9 t -75.57 -32.83 60.53 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.075 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 1.9 tt -58.99 -48.01 83.13 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.818 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.73 -40.44 92.38 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.954 0.407 . . . . 0.0 110.879 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.43 -45.12 88.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.027 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.64 -33.97 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.359 -0.382 . . . . 0.0 112.001 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 92.5 mt -59.84 -34.57 73.27 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.244 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -64.83 -39.14 93.09 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.091 0.472 . . . . 0.0 109.774 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.07 -45.7 87.61 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.396 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 43' ' ' ILE . 78.2 mt -64.87 -49.28 80.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.581 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 44' ' ' GLN . 10.5 tp10 -56.95 -45.23 82.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.5 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 21.2 mm-40 -64.49 -43.84 92.9 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.339 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.8 -35.95 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.474 0.175 . . . . 0.0 111.474 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 39' ' ' ILE . 82.4 mt -61.47 -46.67 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 40' ' ' GLU . 79.8 mm-40 -62.04 -45.32 94.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.602 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 41' ' ' GLU . 67.2 mttm -67.16 -34.11 76.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.858 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -77.16 -44.85 28.77 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HG2' ' OD1' ' A' ' 51' ' ' ASP . 59.4 ttt180 -68.27 -30.31 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.396 178.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -56.3 -41.34 75.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.932 0.396 . . . . 0.0 110.378 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.33 -28.9 64.41 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -74.37 -40.7 61.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.183 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' OD1' ' HG2' ' A' ' 47' ' ' ARG . 2.3 m-20 -70.69 -28.86 65.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.08 0.466 . . . . 0.0 110.828 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -90.08 22.63 3.15 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.162 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -152.03 -38.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 80.05 -45.85 0.3 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.069 0.948 . . . . 0.0 111.755 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -32.49 112.13 0.11 Allowed 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 174.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.415 ' HA ' F21A ' A' ' 201' ' ' 7BU . . . -117.11 -22.89 8.17 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.059 177.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 70.83 -45.08 0.6 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.811 0.844 . . . . 0.0 111.335 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -132.93 123.18 25.46 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.13 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.0 m -67.36 -34.09 76.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.45 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.47 -36.5 82.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.733 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.43 89.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.436 177.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -40.73 96.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.791 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.19 -45.64 93.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.407 HE22 HD11 ' A' ' 104' ' ' LEU . 43.2 mt-30 -68.26 -29.99 68.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.672 177.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.86 -48.62 69.77 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -59.46 -40.97 88.59 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.026 0.441 . . . . 0.0 110.213 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.3 -42.53 99.44 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.579 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -60.06 -39.78 87.19 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.935 0.398 . . . . 0.0 109.997 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' O ' ' HG3' ' A' ' 73' ' ' GLN . 89.6 t -67.23 -40.36 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.779 178.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -62.01 -45.17 94.77 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.712 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.8 mt -61.61 -38.48 87.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.239 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.36 -43.69 96.93 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.517 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 69' ' ' VAL . 89.8 mt-30 -62.3 -42.19 99.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -64.49 -38.79 92.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.188 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.4 t80 -60.67 -45.79 92.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.713 178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -58.11 -42.2 85.19 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -66.37 -33.93 76.83 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.93 67.95 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.264 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 75' ' ' PHE . 80.9 mt -72.86 -45.48 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-O 121.536 0.684 . . . . 0.0 109.281 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -70.19 -33.49 71.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.743 -176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -94.71 2.54 55.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.55 28.41 73.21 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.975 -0.631 . . . . 0.0 114.193 174.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.3 t70 -88.02 96.06 10.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 117.518 0.659 . . . . 0.0 109.304 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -64.53 -41.06 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.591 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.33 -49.91 75.71 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.952 -176.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.0 m -64.13 -33.39 75.68 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 80.3 mt -61.41 -49.65 75.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.117 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 92' ' ' GLU . 30.0 mt-10 -59.35 -49.24 78.56 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.954 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.45 -44.86 70.39 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 94.5 mt -64.7 -34.33 78.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 121.187 -0.205 . . . . 0.0 111.057 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.559 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 43.4 tp -68.46 -42.28 78.97 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.229 179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 88' ' ' GLU . 31.5 mt-10 -66.13 -36.67 83.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.98 0.419 . . . . 0.0 110.149 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.17 -38.34 90.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.458 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.3 mt -61.94 -40.6 96.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.938 178.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.5 mt-10 -61.78 -44.67 96.42 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.543 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 78.9 mm-40 -69.0 -44.53 72.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.238 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.1 89.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.471 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.633 ' HG ' F22C ' A' ' 201' ' ' 7BU . 6.7 tt -61.91 -46.2 90.4 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.356 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -65.03 -32.4 74.1 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.595 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 96' ' ' GLN . 8.7 mtpm? -71.54 -41.53 69.04 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.738 0.304 . . . . 0.0 111.076 -178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.41 HD12 F21C ' A' ' 201' ' ' 7BU . 91.7 mt -61.61 -44.86 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.229 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.566 ' HD2' HG21 ' A' ' 14' ' ' VAL . 67.7 mtp85 -66.36 -35.2 79.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.892 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.5 -42.87 99.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.104 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.453 HD22 ' HG3' ' A' ' 108' ' ' LYS . 98.9 mt -66.83 -40.71 88.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.436 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.72 -22.61 62.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.486 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -87.9 -29.84 20.57 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -171.74 98.22 0.18 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.822 -174.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.453 ' HG3' HD22 ' A' ' 104' ' ' LEU . 13.6 tmtt? -165.36 -58.48 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.227 177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.6 m120 . . . . . 0 C--O 1.25 1.131 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.21 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.716 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.493 0.187 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 72.51 -9.5 1.05 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.176 0.99 . . . . 0.0 113.232 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -67.25 -26.89 66.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.924 0.392 . . . . 0.0 110.183 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.83 -50.01 75.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.149 175.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -65.45 -43.5 90.16 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.612 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.7 tp -49.94 -52.94 29.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.468 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HA ' F22D ' A' ' 201' ' ' 7BU . 5.1 tpt180 -64.73 -44.57 89.74 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.715 0.293 . . . . 0.0 111.419 176.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -60.5 -45.98 91.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.681 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.5 p -66.44 -20.49 66.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.058 0.456 . . . . 0.0 111.071 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' HA3' F21D ' A' ' 201' ' ' 7BU . . . -75.13 -49.08 9.97 Favored Glycine 0 N--CA 1.438 -1.18 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 15' ' ' GLN . 13.8 m-20 -57.82 -41.49 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.592 176.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' HD13 ' A' ' 42' ' ' LEU . 39.4 tt0 -61.76 -44.56 96.66 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.09 -39.64 90.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.622 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 10' ' ' GLY . 96.2 t -60.88 -45.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.939 0.4 . . . . 0.0 110.095 176.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 86.2 mm-40 -57.43 -45.43 84.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.496 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.81 85.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.042 177.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -64.33 -39.38 93.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.115 0.484 . . . . 0.0 109.764 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -63.67 -37.95 89.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.993 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -67.11 -35.29 79.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.757 176.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.49 -39.19 92.67 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.795 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -63.59 -46.4 86.01 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.921 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.7 ' O ' ' HD3' ' A' ' 26' ' ' LYS . 29.6 tt0 -61.19 -51.83 67.38 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.056 -178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 HD11 HG21 ' A' ' 35' ' ' VAL . 74.6 mt -56.75 -36.52 49.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.821 176.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -68.14 -47.74 67.24 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -63.4 -33.45 75.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.942 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.7 ' HD3' ' O ' ' A' ' 22' ' ' GLU . 3.9 mptp? -88.69 -5.18 58.29 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.01 29.88 62.84 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 114.457 0.543 . . . . 0.0 114.457 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -87.73 84.58 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.812 0.806 . . . . 0.0 110.759 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.68 -30.39 63.37 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.451 -0.795 . . . . 0.0 113.063 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -69.69 -47.8 61.9 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 120.987 0.422 . . . . 0.0 110.624 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 92.6 p -65.99 -32.03 73.28 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.729 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.452 HD21 HD13 ' A' ' 79' ' ' ILE . 41.0 tp -62.12 -43.4 98.91 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.948 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -58.26 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.741 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -69.84 -46.07 66.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.311 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.415 HG21 HD11 ' A' ' 23' ' ' ILE . 53.9 t -69.1 -34.81 65.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.1 mt -60.42 -34.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.384 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 39.3 mt-10 -68.76 -39.33 80.3 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.776 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 42.4 mm-40 -64.38 -45.45 87.65 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.985 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' HG13 ' A' ' 43' ' ' ILE . 82.7 mt -60.46 -48.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.105 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.97 -38.99 77.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.395 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 37' ' ' GLU . 42.8 mm-40 -71.38 -34.97 70.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.844 0.354 . . . . 0.0 110.553 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 59.3 mt -66.31 -37.17 84.76 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 39' ' ' ILE . 85.2 mt -61.13 -42.58 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.43 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.671 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 78.7 mt-30 -63.34 -46.79 84.98 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.984 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 48.0 mtmt -61.57 -34.5 75.7 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.119 0.485 . . . . 0.0 111.235 -177.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.38 -43.66 39.68 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.658 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -65.77 -33.2 75.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.877 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.671 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 92.4 mt-30 -58.38 -32.79 68.92 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.052 0.453 . . . . 0.0 110.6 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.4 mt -72.29 -33.8 67.68 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.302 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -76.92 -30.93 56.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.983 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -69.41 -26.8 64.81 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.634 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.35 -65.28 0.68 Allowed 'General case' 0 CA--C 1.514 -0.435 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.546 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.9 91.87 3.61 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.567 -178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -89.06 172.47 9.08 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 69.96 37.97 1.65 Allowed 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.049 0.84 . . . . 0.0 111.508 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -125.8 31.05 5.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.712 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 68.48 -177.92 0.21 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.042 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 65.28 47.8 2.3 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.63 0.729 . . . . 0.0 110.689 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.72 -23.05 49.51 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.658 -177.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -62.17 -41.37 98.26 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-O 120.907 0.384 . . . . 0.0 110.055 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.4 94.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.92 -38.4 69.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 110.2 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 tttm -64.29 -44.52 91.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.382 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -68.11 -40.77 82.5 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.292 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.67 -38.77 96.44 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.58 179.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.4 m-20 -62.92 -40.94 99.14 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 117.123 0.461 . . . . 0.0 110.727 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -64.24 -42.48 96.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.106 0.479 . . . . 0.0 109.718 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -59.56 -38.09 80.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.194 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 65' ' ' GLY . 69.5 t -66.63 -39.93 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.129 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 9.4 mm100 -61.47 -45.71 93.11 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.046 0.45 . . . . 0.0 109.981 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.66 -37.38 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -63.07 -43.19 99.26 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 110.192 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 77' ' ' GLU . 96.6 mt-30 -60.9 -44.15 97.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.344 178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 90.4 mtt180 -63.29 -38.68 92.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.88 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 79' ' ' ILE . 87.0 t80 -59.97 -47.12 87.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.829 178.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -58.25 -45.97 86.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.884 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 73' ' ' GLN . 43.9 mm-40 -65.47 -33.73 76.63 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -177.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.11 69.44 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.452 HD13 HD21 ' A' ' 32' ' ' LEU . 92.3 mt -71.2 -37.56 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -65.25 -31.27 72.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.139 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -88.99 -6.62 57.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.583 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.2 27.79 73.58 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.629 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 14.6 t70 -93.15 102.13 14.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.845 0.323 . . . . 0.0 110.418 -177.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 85' ' ' ASP . 10.2 pttp -72.76 -25.52 61.22 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.044 0.449 . . . . 0.0 110.599 -175.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.468 ' N ' ' HG3' ' A' ' 84' ' ' LYS . 28.3 m-20 -66.56 -48.61 69.1 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.397 -172.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.5 p -71.05 -30.62 66.84 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.753 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.1 mt -60.78 -46.73 89.36 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.632 0.253 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 39.9 mt-10 -57.59 -46.14 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.645 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -69.0 -46.29 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.673 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 94' ' ' LEU . 96.3 mt -66.11 -39.18 89.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.721 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 52.1 tp -61.1 -44.9 96.65 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.567 -179.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 40.3 mt-10 -62.72 -43.26 99.26 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.16 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.26 -34.47 77.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.241 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 90' ' ' LEU . 76.4 mt -63.54 -45.3 91.19 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 46.0 mt-10 -60.75 -41.72 95.98 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.987 178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 76.8 mt-30 -69.19 -44.52 72.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.0 111.163 -178.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.83 78.52 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.99 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.567 ' HG ' F22C ' A' ' 201' ' ' 7BU . 8.9 tt -61.8 -47.48 84.93 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.009 0.433 . . . . 0.0 110.852 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 48.4 mt-30 -64.03 -30.24 71.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.833 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -72.39 -44.15 62.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.029 0.442 . . . . 0.0 110.208 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.512 HD12 F21C ' A' ' 201' ' ' 7BU . 92.4 mt -62.57 -46.51 96.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.691 -178.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -58.01 -41.21 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.98 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 99' ' ' GLN . 28.9 mm-40 -68.13 -30.29 69.4 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.6 mt -73.13 -43.82 61.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.17 0.51 . . . . 0.0 110.118 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.68 -31.5 63.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.063 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -82.71 -8.88 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.037 0.446 . . . . 0.0 111.083 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -72.23 101.63 2.88 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 177.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.6 tttm 68.85 141.74 0.04 OUTLIER 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.704 0.802 . . . . 0.0 111.977 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 . . . . . 0 C--N 1.309 -1.174 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.927 176.902 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.73 ' C2D' F22D ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 CA--C 1.522 -0.129 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 64.8 102.4 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 123.321 0.649 . . . . 0.0 112.155 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -67.52 -28.9 68.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.701 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 43.0 mm-40 -66.42 -42.78 87.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.135 177.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -66.86 -44.68 80.35 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 29.5 tp -49.6 -48.66 48.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.173 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HA ' F22D ' A' ' 201' ' ' 7BU . 7.3 mmm180 -62.29 -46.02 90.66 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.717 175.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 16.3 mm100 -60.77 -44.88 96.19 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.874 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 p -65.5 -23.97 67.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.721 0.296 . . . . 0.0 111.25 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -70.35 -52.3 17.86 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -43.44 74.25 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 120.763 0.316 . . . . 0.0 111.365 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.08 -45.02 95.35 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.803 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.53 -44.4 97.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.069 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 10' ' ' GLY . 91.1 t -61.02 -45.55 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.501 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -59.25 -38.3 79.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.21 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.96 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 0.0 110.442 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -64.25 -38.43 91.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.18 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -62.62 -43.94 97.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -65.43 -34.79 79.13 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.094 0.473 . . . . 0.0 109.82 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.08 -39.57 86.53 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.959 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -60.76 -46.61 89.8 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.438 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.11 -52.58 64.31 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.841 0.353 . . . . 0.0 110.442 -178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' CD1' HG21 ' A' ' 35' ' ' VAL . 76.9 mt -56.71 -40.19 68.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.379 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -68.28 -49.18 62.28 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.553 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.52 -25.56 68.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.856 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.54 3.81 53.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.712 0.291 . . . . 0.0 111.42 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.7 29.65 58.42 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -94.3 87.76 5.33 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 118.357 1.078 . . . . 0.0 112.214 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 11.6 m-20 -56.13 -32.8 64.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -64.65 -47.62 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -74.22 -32.2 62.92 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.194 0.521 . . . . 0.0 109.98 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 31.1 tp -61.08 -42.87 99.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.621 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 37.5 mt-10 -57.86 -46.25 85.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.008 0.432 . . . . 0.0 111.242 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.16 -38.82 92.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.666 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.423 HG21 ' CD1' ' A' ' 23' ' ' ILE . 57.7 t -69.65 -34.97 63.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.307 -178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 83.1 mt -60.78 -35.25 75.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.74 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.99 -41.77 90.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.45 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 18.2 tp10 -67.28 -42.52 83.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.159 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.474 ' O ' HG13 ' A' ' 43' ' ' ILE . 69.5 mt -62.33 -47.61 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.695 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.17 -38.6 73.82 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.527 0.203 . . . . 0.0 111.302 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.36 -44.87 86.3 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.734 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.6 mt -62.3 -37.47 85.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.273 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.2 mt -63.92 -48.04 87.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.842 0.353 . . . . 0.0 110.465 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.63 -43.0 90.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.502 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -63.86 -35.65 81.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.621 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -76.54 -41.7 45.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.979 0.418 . . . . 0.0 109.965 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -68.89 -33.53 73.91 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.102 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.21 -33.44 70.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.0 0.429 . . . . 0.0 111.099 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.9 mt -66.88 -28.27 68.19 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.478 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -71.33 -27.36 63.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.385 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -58.7 -38.84 79.16 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -100.02 17.7 20.38 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.269 -178.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -157.96 84.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -72.0 -34.62 69.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.373 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -37.39 107.29 0.06 Allowed 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.52 119.11 26.33 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.456 178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.42 -34.75 71.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.191 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -142.97 123.43 13.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.568 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 21.0 p -79.0 -25.89 43.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.929 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.73 -36.15 81.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.994 0.426 . . . . 0.0 109.877 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.61 95.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.801 176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.95 84.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.331 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 59' ' ' THR . 68.6 mttm -63.14 -43.02 99.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.292 177.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.38 -30.64 70.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -65.67 -48.73 64.73 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.57 -38.79 88.82 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.649 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp60 -63.32 -43.57 97.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.069 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -61.38 -40.01 92.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.338 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 65' ' ' GLY . 79.1 t -64.79 -41.03 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.951 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 9.3 tt0 -67.69 -40.36 84.39 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.223 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 67' ' ' GLN . 94.2 mt -61.99 -39.62 92.81 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.53 -41.21 96.51 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.384 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -64.95 -38.68 91.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 92.2 mtt180 -68.65 -36.64 78.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 79' ' ' ILE . 83.8 t80 -60.98 -49.18 78.49 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.699 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.418 ' HG2' ' OD2' ' A' ' 80' ' ' ASP . 49.6 ttt180 -65.82 -36.19 82.78 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.613 177.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 2.6 mm-40 -59.84 -39.71 86.08 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -44.34 74.74 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.792 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.422 HD11 ' CE2' ' A' ' 75' ' ' PHE . 95.5 mt -57.14 -45.43 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.245 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' OD2' ' HG2' ' A' ' 76' ' ' ARG . 73.9 m-20 -63.12 -34.02 76.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 109.917 178.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 31.6 mmtp -88.68 5.11 44.71 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.13 12.81 66.16 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.994 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 12.2 t70 -83.48 98.91 9.78 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.27 0.557 . . . . 0.0 111.829 -177.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.28 -31.41 58.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.358 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -60.47 -49.95 75.53 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.641 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -66.48 -29.87 70.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 82.7 mt -58.13 -40.37 81.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.763 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.14 -46.12 89.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.589 0.233 . . . . 0.0 111.383 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.68 -46.2 69.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.713 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.68 -34.88 78.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.903 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.63 -38.36 80.44 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.4 -45.27 95.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.716 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -65.26 -39.53 92.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.364 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.43 -47.79 80.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.591 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.27 90.23 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.023 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 79.8 mt-30 -63.97 -42.98 97.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.048 0.451 . . . . 0.0 111.32 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.15 73.18 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.632 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.464 HD12 F21C ' A' ' 201' ' ' 7BU . 7.4 tp -61.12 -46.93 88.58 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.537 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 1.7 mp0 -62.87 -38.63 91.62 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.996 178.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 96' ' ' GLN . 73.1 mmtt -70.14 -41.68 73.55 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.549 -176.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.408 HD12 F21C ' A' ' 201' ' ' 7BU . 92.5 mt -60.99 -45.89 97.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -63.21 -39.01 93.4 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.43 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 41.2 mt-10 -62.4 -45.9 91.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.627 0.251 . . . . 0.0 111.12 178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.28 -42.61 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.832 0.348 . . . . 0.0 111.505 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.94 -27.9 64.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.908 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -90.79 -34.19 15.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.805 0.336 . . . . 0.0 111.905 -177.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -100.61 19.76 16.35 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.381 -176.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -55.31 -41.4 72.33 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.604 177.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 C--O 1.255 1.347 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.469 175.134 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.719 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 120.716 0.293 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.64 -39.06 11.02 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -174.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.14 -44.04 85.33 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -174.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -58.46 -39.64 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.737 0.303 . . . . 0.0 110.784 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -71.95 -42.4 66.64 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.64 -53.28 32.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.441 176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.571 ' HA ' F22D ' A' ' 201' ' ' 7BU . 68.3 ttt-85 -64.43 -43.36 94.57 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.895 178.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -58.93 -44.25 91.31 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.574 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 p -68.31 -16.56 63.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.189 0.518 . . . . 0.0 110.641 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.76 -50.35 5.3 Favored Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 177.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.63 -44.36 77.06 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.215 0.531 . . . . 0.0 109.749 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.65 -44.62 96.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.724 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.37 -40.19 95.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.69 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 10' ' ' GLY . 95.6 t -64.42 -46.9 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.981 0.42 . . . . 0.0 110.45 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 78.6 mt-30 -58.83 -42.85 90.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.026 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.81 -42.13 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.981 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.71 -38.23 74.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.684 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.4 -40.12 96.35 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 21.2 mmt180 -65.16 -35.96 82.74 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.252 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.14 -36.76 78.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.484 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.432 HH21 ' CG ' ' A' ' 25' ' ' ASP . 3.1 mmm180 -65.97 -47.69 73.73 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.882 178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 53.5 mm-40 -67.99 -29.97 69.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.256 -176.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' ARG . 86.9 mt -76.48 -35.97 27.54 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -72.07 -43.4 64.92 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.664 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CG ' HH21 ' A' ' 21' ' ' ARG . 20.1 m-20 -63.45 -32.69 74.21 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.292 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 47.3 mmtm -89.08 0.49 56.65 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.274 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.46 29.31 74.92 Favored Glycine 0 C--N 1.332 0.352 0 N-CA-C 114.408 0.523 . . . . 0.0 114.408 176.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.71 76.89 4.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 117.552 0.676 . . . . 0.0 110.328 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.51 -28.02 58.82 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.836 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.17 -48.79 69.57 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.906 -0.317 . . . . 0.0 111.434 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.8 t -74.1 -32.51 63.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 32.3 tp -60.2 -48.19 82.76 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.921 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.82 -46.1 88.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 111.081 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -60.72 -40.15 91.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.564 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 39' ' ' ILE . 55.9 t -69.85 -34.85 62.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.295 178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.8 mt -60.43 -42.92 97.05 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 122.206 -0.309 . . . . 0.0 111.027 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.81 -39.01 92.88 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.232 0.539 . . . . 0.0 109.665 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.59 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 41.4 tt0 -64.66 -44.07 91.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.32 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.4 mm -60.46 -48.97 86.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.215 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -58.64 -39.78 81.51 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.391 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -70.08 -35.34 74.12 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 120.779 0.323 . . . . 0.0 110.277 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 82.3 mt -66.39 -36.16 82.16 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 39' ' ' ILE . 86.0 mt -61.31 -43.14 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.65 -44.79 92.8 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -63.61 -35.86 81.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.992 0.425 . . . . 0.0 111.245 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.74 -44.61 32.51 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.287 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' HG3' F23B ' A' ' 201' ' ' 7BU . 72.1 ttt-85 -68.64 -32.47 72.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.328 178.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -60.04 -34.78 73.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.982 0.42 . . . . 0.0 110.801 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.6 mt -74.23 -28.79 61.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.218 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -72.3 -30.3 64.66 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.468 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -78.12 -11.9 59.95 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.805 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -105.08 10.12 34.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.818 177.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -125.86 -48.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.536 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 63.09 29.16 16.25 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 120.995 0.426 . . . . 0.0 111.571 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -141.31 131.92 25.53 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.086 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -118.13 139.23 51.55 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.992 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.538 ' H ' F23A ' A' ' 201' ' ' 7BU . . . -71.76 -22.27 61.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.387 0.613 . . . . 0.0 109.449 177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -154.01 123.17 6.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.48 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.4 m -67.69 -44.73 77.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.023 0.439 . . . . 0.0 111.204 -176.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -63.16 -34.26 77.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.663 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.73 93.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.615 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.98 95.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.926 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.59 -42.76 99.32 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.575 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.54 -31.29 72.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.683 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -62.24 -47.5 89.3 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.727 177.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 52.0 m-20 -58.66 -44.81 90.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.939 0.4 . . . . 0.0 110.43 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -62.2 -41.0 97.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.072 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.402 ' CD2' F21C ' A' ' 201' ' ' 7BU . 77.9 t90 -60.48 -39.92 89.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 65' ' ' GLY . 94.7 t -63.41 -39.9 87.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 78.0 mm-40 -65.53 -43.15 90.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.7 -42.14 98.54 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.451 178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -60.55 -45.14 95.0 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.651 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 77.5 mm-40 -61.56 -44.42 97.06 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.922 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 97.1 mtt180 -64.03 -34.76 78.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.94 0.4 . . . . 0.0 110.129 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -63.74 -48.09 78.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.738 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 76' ' ' ARG . 2.2 ttp180 -64.0 -40.24 95.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.382 178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.563 ' HG3' ' O ' ' A' ' 73' ' ' GLN . 50.5 mt-10 -63.19 -33.38 75.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-O 121.058 0.456 . . . . 0.0 110.161 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.44 74.65 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.709 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.8 mt -71.82 -36.74 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -69.19 -37.85 78.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.206 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -84.59 -7.81 59.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.352 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.8 27.82 70.08 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.842 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -92.48 96.89 10.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -69.86 -32.7 71.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.905 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.534 -176.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.2 m -66.66 -30.09 70.27 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 90.2 mt -58.47 -49.57 76.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.49 -37.65 80.28 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.137 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -70.13 -45.22 67.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.198 0.523 . . . . 0.0 110.92 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.02 -36.67 78.02 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.043 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 95' ' ' GLU . 48.8 tp -63.81 -43.38 96.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 96' ' ' GLN . 28.5 tp10 -62.27 -45.16 94.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.507 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -68.59 -34.12 75.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.641 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.9 mt -60.46 -47.32 86.63 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.051 0.453 . . . . 0.0 110.093 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 43.4 mt-10 -61.06 -43.27 99.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.725 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 92' ' ' GLU . 95.7 mt-30 -65.11 -44.8 87.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.428 . . . . 0.0 111.249 -177.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.51 71.06 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.206 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.578 ' HA ' F22C ' A' ' 201' ' ' 7BU . 4.6 tt -61.2 -46.82 88.89 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 120.952 0.406 . . . . 0.0 110.795 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' GLU . 96.6 mt-30 -62.44 -30.5 71.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.912 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -73.81 -44.37 56.05 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.41 HD12 F21C ' A' ' 201' ' ' 7BU . 81.2 mt -60.44 -46.64 94.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.048 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.424 ' HD2' HG21 ' A' ' 14' ' ' VAL . 46.7 ttt180 -66.2 -31.93 73.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.47 0.652 . . . . 0.0 109.537 178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLN . 33.0 tt0 -67.98 -46.56 70.99 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.06 -42.26 60.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.919 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.47 -23.03 66.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -102.7 -0.56 31.51 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-O 121.182 0.515 . . . . 0.0 109.846 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt 59.2 33.89 22.91 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.68 0.752 . . . . 0.0 109.514 -177.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 68.7 -59.79 0.45 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.322 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.336 -179.326 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.725 F21D ' C3C' ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 120.566 0.222 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.48 155.83 39.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.965 0.412 . . . . 0.0 111.808 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -66.35 -21.46 66.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.044 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.93 -51.36 64.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.266 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HB3' HD13 ' A' ' 49' ' ' LEU . 97.1 mttt -62.61 -24.98 67.86 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.682 179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 53' ' ' ARG . 53.4 tp -72.51 -48.72 38.25 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.6 ' HA ' F22D ' A' ' 201' ' ' 7BU . 7.9 mtp180 -67.25 -36.95 82.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.526 176.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.1 -30.85 71.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.504 -177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -88.27 -18.21 29.08 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.254 0.55 . . . . 0.0 110.188 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -80.96 -48.39 6.12 Favored Glycine 0 N--CA 1.439 -1.153 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -60.84 -37.07 80.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.715 0.293 . . . . 0.0 110.743 176.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -62.78 -45.28 93.42 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.1 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.53 -39.77 92.27 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.625 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 93.6 t -64.35 -47.19 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.771 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.4 -45.26 88.7 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.935 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.5 80.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.255 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.32 -39.0 88.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.943 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 14' ' ' VAL . 96.5 mt-30 -65.2 -40.05 93.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.903 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -62.16 -37.15 84.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.055 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -63.99 -45.55 88.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.479 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.78 -51.36 69.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.597 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.22 -35.77 49.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.792 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CD2' HD22 ' A' ' 91' ' ' LEU . 46.6 t80 -68.58 -47.12 67.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.675 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -61.83 -31.06 71.27 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.545 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -82.39 -1.55 50.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.22 27.47 57.71 Favored Glycine 0 C--N 1.333 0.401 0 CA-C-N 116.12 -0.491 . . . . 0.0 114.153 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -91.75 87.31 6.24 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 119.794 -0.763 . . . . 0.0 111.589 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.78 -29.12 64.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.293 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.44 -50.02 66.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.1 t -74.88 -32.31 61.83 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.032 0.444 . . . . 0.0 110.031 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 20.3 tp -61.58 -47.65 84.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.448 -177.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 36' ' ' LEU . 10.8 pt-20 -60.29 -42.09 94.75 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.44 -40.93 85.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 39' ' ' ILE . 54.3 t -66.3 -32.76 59.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.033 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 32' ' ' LEU . 96.2 mt -59.08 -39.6 82.66 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.641 0.258 . . . . 0.0 110.4 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.12 -32.97 74.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 109.942 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 12.1 tp10 -67.36 -43.9 80.32 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 43' ' ' ILE . 47.8 mm -62.35 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.844 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 36' ' ' LEU . 48.1 mt-10 -56.7 -41.48 77.47 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.352 178.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.51 -35.43 73.21 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 71.8 mt -68.23 -35.28 77.7 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.797 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 39' ' ' ILE . 90.0 mt -59.86 -44.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 71.5 mm-40 -69.63 -39.28 77.26 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.419 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.4 -44.59 96.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.347 0.594 . . . . 0.0 110.407 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -70.17 -42.59 72.25 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.371 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -66.86 -31.78 72.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.563 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 53.2 mm-40 -60.71 -36.85 79.85 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.89 0.376 . . . . 0.0 111.354 -178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' A' ' 53' ' ' ARG . 94.7 mt -75.57 -28.82 59.12 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.038 0.447 . . . . 0.0 110.029 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -68.62 -28.75 67.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.673 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -72.37 -12.32 61.07 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.331 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -116.09 13.27 15.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.021 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 49' ' ' LEU . 23.9 mmm180 -96.03 140.71 30.38 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.783 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -77.55 147.32 35.79 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 57.78 -161.98 0.22 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.235 0.334 . . . . 0.0 110.809 -175.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -113.55 -11.35 13.05 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.723 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 69.68 -54.83 0.59 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.799 0.84 . . . . 0.0 111.166 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 9.2 t70 -154.51 120.52 5.26 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 p -73.27 -40.59 64.48 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.348 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 64' ' ' GLN . 10.0 tp10 -65.58 -40.11 92.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.23 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 58' ' ' ASP . . . -62.8 -45.2 93.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.72 90.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -62.68 -44.57 95.91 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.931 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.537 ' OE1' ' HE3' ' A' ' 100' ' ' LYS . 34.5 mt-30 -65.35 -34.55 78.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 69' ' ' VAL . . . -61.43 -43.02 99.88 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.651 176.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.39 -45.69 87.83 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 120.973 0.416 . . . . 0.0 110.153 176.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.08 -42.49 96.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.848 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.418 ' CG ' F21C ' A' ' 201' ' ' 7BU . 70.7 t90 -62.84 -39.21 93.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.391 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 65' ' ' GLY . 81.8 t -65.15 -41.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.09 -36.01 81.03 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-O 121.486 0.66 . . . . 0.0 109.592 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.8 tp -69.28 -42.26 75.73 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.031 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.65 -37.22 79.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.058 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -58.65 -45.02 90.23 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -64.08 -39.16 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.41 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.445 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.8 t80 -63.02 -48.77 77.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.459 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 76' ' ' ARG . 5.2 tpt180 -58.39 -46.4 86.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.695 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.75 -34.26 75.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.373 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.13 -30.94 67.12 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.616 -178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 75' ' ' PHE . 68.0 mt -74.32 -41.25 50.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -63.99 -32.05 73.46 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.094 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -85.13 -3.25 58.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.817 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 67.81 26.21 73.92 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.7 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.546 ' O ' ' HG ' ' A' ' 87' ' ' LEU . 10.0 t70 -92.53 76.78 5.06 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.587 0.708 . . . . 0.0 111.156 -176.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 87' ' ' LEU . 74.5 mmtt -56.4 -25.31 49.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.726 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -60.15 -50.6 73.05 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.494 0.664 . . . . 0.0 110.295 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 m -72.85 -30.92 64.39 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.727 -178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 83' ' ' ASP . 50.3 mt -60.22 -47.06 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -58.9 -45.5 90.13 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -70.04 -46.0 65.96 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.695 0.283 . . . . 0.0 111.707 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.11 -33.11 75.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.541 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD22 ' CD2' ' A' ' 24' ' ' PHE . 42.4 tp -63.53 -43.04 98.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.975 0.417 . . . . 0.0 110.202 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.41 -44.67 95.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.139 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -61.45 -42.3 98.55 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.726 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.99 -47.28 85.51 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.345 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.0 tt0 -61.68 -46.21 90.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.833 -178.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -68.89 -41.06 78.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.994 0.426 . . . . 0.0 111.459 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.57 80.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.597 ' HA ' F22C ' A' ' 201' ' ' 7BU . 8.7 tt -67.15 -44.99 78.42 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.504 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 95' ' ' GLU . 80.4 mm-40 -61.89 -36.3 80.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.2 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.537 ' HE3' ' OE1' ' A' ' 64' ' ' GLN . 27.9 ttpt -70.87 -38.44 73.1 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.742 0.306 . . . . 0.0 111.404 -176.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.441 HD12 F21C ' A' ' 201' ' ' 7BU . 74.6 mt -62.59 -41.35 91.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.437 HH11 HG21 ' A' ' 14' ' ' VAL . 35.3 mtp85 -61.83 -38.27 87.56 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 177.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 47.9 mt-10 -60.47 -38.54 84.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.847 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.22 -38.98 86.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.868 0.366 . . . . 0.0 110.794 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.46 63.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -85.59 -6.11 59.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 70.84 24.55 4.12 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.552 0.741 . . . . 0.0 112.001 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt 63.05 172.36 0.15 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.729 0.776 . . . . 0.0 112.78 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 32.9 t30 . . . . . 0 C--N 1.311 -1.09 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.325 178.098 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' 7BU . . . . . 0.71 ' C2A' F22A ' A' ' 201' ' ' 7BU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_