data_2h5m_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 2h5m _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.852 -0.425 . . . . 2.91 109.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.82 103.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 1.46 110.573 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.9 mmmm -86.87 135.34 33.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.825 -0.625 . . . . 2.65 109.705 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.0 138.42 38.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.234 0.54 . . . . 2.52 110.296 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.93 -160.35 10.26 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 110.871 -0.892 . . . . 1.41 110.871 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.18 89.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.188 -0.301 . . . . 3.19 110.188 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 52.64 44.99 29.5 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.541 -0.754 . . . . 1.87 110.143 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -155.1 166.54 33.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 1.53 111.258 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -128.77 135.9 49.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.835 -0.802 . . . . 0.81 108.835 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 12.2 p90 -150.93 155.28 38.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.126 0.489 . . . . 1.27 111.0 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 131.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 1.35 109.287 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.68 -160.6 31.73 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.489 -0.862 . . . . 1.52 112.532 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.15 -38.46 16.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 2.62 110.433 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -150.06 168.46 23.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.451 -0.795 . . . . 1.69 109.149 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.87 -42.74 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 2.72 110.459 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -78.4 -38.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.765 -0.652 . . . . 2.92 110.649 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.37 44.38 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.742 -0.663 . . . . 2.81 110.689 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.68 41.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.402 -0.817 . . . . 1.59 110.066 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -83.88 -38.46 21.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.211 0.529 . . . . 1.94 109.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.37 127.47 17.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.755 . . . . 1.25 109.651 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -135.31 130.61 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.978 0.418 . . . . 1.57 111.402 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.34 128.55 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 1.09 109.272 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 p -116.77 148.08 41.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 1.29 111.628 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -140.37 164.45 30.09 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.199 -0.667 . . . . 1.16 109.199 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.24 149.56 29.55 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 4.43 111.036 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -84.64 104.48 14.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.698 -0.683 . . . . 0.92 109.595 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 m -76.96 -41.13 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.144 -0.48 . . . . 1.52 112.235 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -123.02 -85.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.886 -0.326 . . . . 1.74 111.819 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -130.66 -56.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.377 0.51 . . . . 3.36 112.377 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.54 10.82 9.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.867 0.365 . . . . 2.34 111.237 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.87 124.58 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 2.25 110.85 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -108.23 122.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.521 -0.763 . . . . 1.13 109.921 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.497 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 38.7 t30 -99.61 128.56 45.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.157 -0.474 . . . . 1.82 111.559 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.2 mt -105.92 108.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.154 -0.684 . . . . 1.37 109.154 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.71 -35.79 5.65 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.947 -0.301 . . . . 2.47 111.751 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.497 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 44.7 t60 -106.73 127.07 53.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.496 0.665 . . . . 2.94 111.623 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 ' CB ' ' HG ' ' A' ' 75' ' ' CYS . 1.4 m -149.79 110.06 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.286 -0.87 . . . . 1.22 109.16 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.41 133.6 7.43 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.018 -1.086 . . . . 0.73 112.714 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.34 146.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.928 -0.767 . . . . 1.5 108.928 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.32 -0.712 0 C-N-CA 120.948 -0.301 . . . . 1.94 110.226 179.751 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.389 -0.284 . . . . 1.45 112.389 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.89 -33.96 51.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.406 . . . . 1.74 110.8 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.96 -32.47 80.12 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.836 -0.62 . . . . 0.66 112.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -66.51 -42.87 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.938 0.399 . . . . 2.54 110.119 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.74 -40.68 88.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.811 -0.631 . . . . 2.91 111.033 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.68 -50.46 73.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.837 0.351 . . . . 1.51 110.468 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 61' ' ' VAL . 23.2 tp -63.72 -41.72 98.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.81 110.508 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' HB2' ' HH ' ' A' ' 88' ' ' TYR . 14.7 ttpp -58.95 -44.43 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 1.98 110.909 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.12 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.0 -47.57 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 1.18 110.002 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 57' ' ' LEU . 85.2 t -61.81 -44.83 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 1.11 111.031 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -58.78 -48.54 80.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.997 -0.547 . . . . 1.76 110.892 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.422 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 14.7 t60 -68.71 -31.05 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.555 . . . . 1.26 111.038 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.4 -44.48 87.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 1.23 110.479 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 8.4 tpt180 -62.74 -34.79 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.365 -0.38 . . . . 3.8 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.0 mt-10 -63.23 -47.83 80.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.82 111.79 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -95.02 11.24 32.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.182 0.438 . . . . 1.51 112.182 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.2 t30 59.29 37.79 23.45 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.401 0.62 . . . . 2.7 111.369 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.4 mt -82.51 158.01 23.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 1.26 110.644 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -107.2 131.32 54.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.895 -0.78 . . . . 3.46 108.895 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mt -103.12 128.61 55.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 1.53 112.355 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.3 pt -134.46 143.67 37.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.436 -1.256 . . . . 1.64 107.754 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.41 125.4 24.31 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.655 -0.818 . . . . 1.15 112.992 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -88.44 -19.1 26.97 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.727 -1.212 . . . . 1.25 107.727 176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 77' ' ' PHE . 34.8 t -70.16 115.99 10.0 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.395 -1.275 . . . . 1.99 110.4 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -59.49 -27.65 66.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.427 -0.352 . . . . 1.44 111.089 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.461 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . 74.7 t80 -74.01 -59.61 2.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 1.06 110.915 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.39 79.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 1.12 111.377 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 60.7 tttm -59.84 -46.57 88.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 1.76 110.353 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 64.7 t60 -64.66 -31.33 72.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.257 -0.429 . . . . 1.41 111.068 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 49.1 mtp -67.37 -37.09 82.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 1.91 109.623 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.77 -32.51 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.452 -0.794 . . . . 1.23 109.997 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 78.8 mt-10 -66.61 -36.53 82.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.406 0.622 . . . . 1.76 109.811 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -70.34 -50.18 41.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.123 -0.944 . . . . 2.69 111.038 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.51 94.75 9.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.173 -0.467 . . . . 1.6 110.78 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.56 -26.36 66.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 2.66 110.618 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.27 68.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 1.7 111.661 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.448 ' HH ' ' HB2' ' A' ' 58' ' ' LYS . 16.9 m-30 -90.56 -6.16 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 1.11 111.177 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -82.24 32.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.246 0.546 . . . . 2.77 111.22 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.574 ' OD2' ' HD3' ' A' ' 65' ' ' ARG . 13.9 p-10 -106.0 -42.91 4.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.9 -0.778 . . . . 2.44 108.9 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 m -98.88 -21.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.409 0.623 . . . . 1.51 109.603 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -85.14 136.1 33.69 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.4 -0.818 . . . . 1.51 109.17 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.266 0.555 . . . . 2.03 111.514 -179.374 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.981 0.42 . . . . 2.91 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -80.09 98.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.029 -0.532 . . . . 1.46 109.816 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -87.87 114.39 24.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.129 -0.487 . . . . 2.65 110.068 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -75.57 142.53 42.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 2.52 111.598 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.6 -168.07 12.05 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.476 -1.049 . . . . 1.41 110.476 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.48 95.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.331 0.566 . . . . 3.19 110.475 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.71 39.76 23.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.971 -0.558 . . . . 1.87 110.39 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 62.6 pttt -163.48 177.05 9.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.217 0.532 . . . . 1.53 112.099 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -138.11 137.11 37.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.861 -1.163 . . . . 0.81 107.861 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -144.08 156.13 44.24 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.4 -0.52 . . . . 1.27 111.416 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.94 118.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 1.35 109.756 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.42 174.39 28.07 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 111.355 -0.698 . . . . 1.52 111.355 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -70.91 -55.26 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.925 0.393 . . . . 2.62 110.813 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -125.63 156.45 39.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.933 -0.576 . . . . 1.69 109.458 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.87 -33.54 70.6 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.042 0.214 . . . . 2.72 111.399 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.97 -16.42 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.244 0.545 . . . . 2.92 110.94 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -125.4 36.55 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 2.81 110.102 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 113.63 13.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.573 -0.74 . . . . 1.59 110.725 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.55 -38.6 81.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.94 109.665 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -144.78 137.87 26.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.065 -0.97 . . . . 1.25 109.988 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -143.69 130.08 19.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.874 0.369 . . . . 1.57 110.967 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -122.54 140.1 47.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.129 -0.693 . . . . 1.09 109.129 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.79 148.12 45.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.77 -0.196 . . . . 1.29 110.996 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -140.34 139.49 35.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.804 -0.443 . . . . 1.16 109.804 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.27 158.43 41.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.511 -0.313 . . . . 4.43 110.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -92.87 109.4 20.83 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.381 -0.372 . . . . 0.92 110.309 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.22 -35.86 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.045 0.45 . . . . 1.52 110.449 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.3 -80.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.74 110.2 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -161.93 -50.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 3.36 110.387 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -101.61 13.79 33.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.488 0.661 . . . . 2.34 110.079 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.09 130.92 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 2.25 110.412 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 pt -121.74 130.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 1.13 110.704 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.3 p-10 -106.88 139.65 40.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.878 -0.601 . . . . 1.82 110.505 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.42 113.69 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.781 -0.645 . . . . 1.37 109.478 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.18 -72.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.424 -0.807 . . . . 2.47 110.707 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -139.17 155.29 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 2.94 110.954 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -134.45 93.18 3.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.794 -0.639 . . . . 1.22 109.877 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.79 97.44 1.78 Allowed Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.399 -0.905 . . . . 0.73 112.254 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -108.52 162.96 6.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.536 -0.542 . . . . 1.5 109.536 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 121.056 0.455 . . . . 1.94 111.024 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 112.314 -0.314 . . . . 1.45 112.314 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.93 -49.44 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.121 0.486 . . . . 1.74 110.872 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.38 -38.36 94.87 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.913 -0.66 . . . . 0.66 112.562 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HE3' ' SD ' ' A' ' 81' ' ' MET . 20.4 mtpt -65.03 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.644 0.259 . . . . 2.54 110.598 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.68 -43.58 98.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 2.91 110.66 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.47 -42.05 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 1.51 110.472 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.3 mt -64.22 -37.82 88.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.81 110.048 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.86 78.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.873 -0.603 . . . . 1.98 110.468 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.32 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 1.29 110.632 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.8 t -69.5 -43.74 80.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.77 -0.65 . . . . 1.18 109.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.7 t -62.98 -35.86 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 1.11 109.94 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.1 tp10 -62.84 -47.39 83.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.057 -0.52 . . . . 1.76 109.882 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -64.76 -33.5 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 1.26 109.772 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.26 83.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.651 -0.704 . . . . 1.23 109.948 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.3 mtt-85 -75.62 -32.53 60.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 3.8 110.302 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 58.2 mt-10 -63.46 -47.05 83.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 1.82 111.946 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.473 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 6.6 m120 -103.44 2.51 33.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.006 0.373 . . . . 1.51 112.006 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 61.12 46.36 8.22 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.109 0.48 . . . . 2.7 111.111 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -89.27 159.48 17.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.725 -0.67 . . . . 1.26 111.261 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -93.2 134.53 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.101 -0.703 . . . . 3.46 109.101 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 mm -102.0 124.95 56.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.229 0.538 . . . . 1.53 111.757 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -135.89 149.44 27.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.086 -1.079 . . . . 1.64 108.086 177.292 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.71 138.7 52.87 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.506 -0.477 . . . . 1.15 112.147 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -95.35 -30.06 14.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.783 -0.644 . . . . 1.25 110.031 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 151.55 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 1.99 111.121 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -54.22 29.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 1.44 111.959 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -56.53 -49.82 73.65 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.917 0.34 . . . . 1.06 111.917 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.46 -49.5 72.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 1.12 110.633 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.605 ' HZ2' ' HH ' ' A' ' 92' ' ' TYR . 32.1 tttm -63.63 -44.82 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 1.76 110.699 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.463 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 35.6 t60 -58.69 -37.37 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 1.41 111.533 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.502 ' SD ' ' HE3' ' A' ' 54' ' ' LYS . 42.4 tpp -65.65 -42.57 91.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 1.91 109.915 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -66.06 -30.26 70.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.375 -0.829 . . . . 1.23 110.931 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 72.6 mt-10 -70.81 -32.32 69.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 1.76 110.556 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -84.65 -48.48 9.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.924 -0.58 . . . . 2.69 111.853 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.44 105.65 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.113 0.483 . . . . 1.6 110.867 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.825 -0.625 . . . . 2.66 111.203 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -27.7 69.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 1.7 111.296 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -81.01 -24.09 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.428 -0.351 . . . . 1.11 110.489 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.67 -10.17 49.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.331 -0.395 . . . . 2.77 110.797 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.18 -35.01 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.226 0.536 . . . . 2.44 109.846 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.8 -28.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 1.51 110.874 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.605 ' HH ' ' HZ2' ' A' ' 79' ' ' LYS . 16.6 t80 -77.72 134.01 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.51 110.329 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 2.03 110.082 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.463 ' O ' HG12 ' A' ' 15' ' ' ILE . 5.7 mm-40 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.889 0.376 . . . . 2.91 110.941 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.69 96.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 1.46 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.876 ' HZ2' ' HH ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -91.86 125.13 36.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.588 -0.523 . . . . 2.65 109.588 179.108 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -91.76 146.18 23.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.255 0.55 . . . . 2.52 110.937 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.3 -164.72 11.53 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.312 -1.115 . . . . 1.41 110.312 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.65 93.55 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.295 0.547 . . . . 3.19 110.027 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 54.43 42.75 31.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.688 -0.687 . . . . 1.87 110.454 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -158.14 168.08 28.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 1.53 110.712 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -134.22 139.5 45.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.824 -0.806 . . . . 0.81 108.824 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.876 ' HH ' ' HZ2' ' A' ' 7' ' ' LYS . 12.4 p90 -152.99 149.55 28.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.183 0.516 . . . . 1.27 111.643 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 5' ' ' GLU . 63.8 mt -135.15 132.92 53.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.267 -0.879 . . . . 1.35 109.197 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.67 -148.73 9.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.403 -0.903 . . . . 1.52 112.407 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.68 -25.95 14.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.185 0.517 . . . . 2.62 110.818 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -163.8 172.09 14.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 1.69 109.489 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -53.07 -42.46 65.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 2.72 110.728 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.39 -25.14 25.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.188 0.518 . . . . 2.92 110.307 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.47 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 2.81 109.802 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.18 108.33 15.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.523 -0.762 . . . . 1.59 110.733 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -65.79 -40.35 91.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 1.94 109.925 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.38 121.6 26.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.488 -0.778 . . . . 1.25 109.58 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -133.38 128.46 35.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.0 0.428 . . . . 1.57 110.867 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.4 tt -129.27 117.71 44.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.537 -0.756 . . . . 1.09 109.117 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.81 139.87 46.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 1.29 111.189 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.6 173.74 11.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.938 -0.574 . . . . 1.16 110.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.02 155.45 27.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.12 -0.326 . . . . 4.43 110.12 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -82.56 115.45 21.54 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.308 -0.626 . . . . 0.92 109.308 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.52 -41.74 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.424 -0.353 . . . . 1.52 111.256 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -126.27 -86.99 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.749 -0.381 . . . . 1.74 111.447 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.76 -59.32 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.478 0.547 . . . . 3.36 112.478 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -112.86 3.79 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.065 -0.254 . . . . 2.34 111.51 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -99.69 124.86 45.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.009 0.433 . . . . 2.25 111.374 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pt -108.49 121.62 61.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.618 -0.719 . . . . 1.13 109.556 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.7 t30 -105.68 124.21 49.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 1.82 111.455 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.8 mt -81.01 121.68 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.017 -0.734 . . . . 1.37 109.017 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.02 -49.71 6.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.339 -0.392 . . . . 2.47 111.888 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -129.71 146.89 51.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.417 0.627 . . . . 2.94 111.557 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -144.74 102.94 3.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.093 -0.958 . . . . 1.22 109.24 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.53 122.04 5.23 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.711 -0.757 . . . . 0.73 112.256 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -129.05 142.06 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 110.36 -0.237 . . . . 1.5 110.36 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.856 0.836 . . . . 1.94 109.764 178.648 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.57 0 N-CA-C 111.743 -0.543 . . . . 1.45 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.34 -46.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.74 110.948 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.88 98.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.923 -0.656 . . . . 0.66 112.294 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -66.53 -34.02 76.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 2.54 110.818 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -39.19 73.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.428 -0.351 . . . . 2.91 110.628 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.32 -42.62 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.677 -0.49 . . . . 1.51 109.677 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.26 -35.12 80.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 1.81 109.517 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -62.56 -41.51 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.509 -0.768 . . . . 1.98 110.119 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.35 90.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 1.29 110.287 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.42 -43.76 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.18 109.972 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG23 ' CG ' ' A' ' 88' ' ' TYR . 63.9 t -62.82 -48.41 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.671 . . . . 1.11 111.074 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -44.49 96.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 1.76 110.52 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.497 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 55.1 t60 -66.81 -32.18 73.29 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.958 -0.564 . . . . 1.26 110.718 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 1.23 110.079 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -61.08 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 3.8 110.696 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' OE2' ' HA ' ' A' ' 63' ' ' HIS . 44.0 mt-10 -58.1 -50.18 74.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.82 111.333 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -100.97 14.45 31.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 1.51 112.206 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.24 43.06 29.83 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.559 0.695 . . . . 2.7 110.879 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -90.42 155.15 19.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.447 -0.797 . . . . 1.26 110.821 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.0 mptt -109.97 134.16 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.43 -0.952 . . . . 3.46 108.43 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.8 mt -100.84 139.42 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 112.937 0.717 . . . . 1.53 112.937 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -144.22 157.23 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.215 -1.357 . . . . 1.64 107.398 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.68 139.66 26.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.062 -0.655 . . . . 1.15 112.746 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -87.04 -35.39 18.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.552 -0.749 . . . . 1.25 109.199 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 124.43 23.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.665 -0.698 . . . . 1.99 109.621 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 m -55.14 -38.5 68.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.264 0.468 . . . . 1.44 112.264 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.28 -55.27 33.82 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.34 -0.144 . . . . 1.06 111.089 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.48 96.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 1.12 110.938 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HG2' ' OH ' ' A' ' 92' ' ' TYR . 6.6 tmtm? -61.1 -45.12 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 1.76 110.059 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -73.32 -24.08 60.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 1.41 110.789 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -52.72 44.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.773 0.32 . . . . 1.91 110.512 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.04 -26.89 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 1.23 110.122 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -72.12 -38.56 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.986 -1.007 . . . . 1.76 110.812 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.48 -44.55 19.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 2.69 110.7 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -74.07 101.5 3.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 1.6 110.74 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.46 -26.94 68.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 2.66 110.783 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -67.59 -15.98 63.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 1.7 111.919 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' CG ' HG23 ' A' ' 61' ' ' VAL . 19.3 m-30 -108.56 2.61 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 1.11 110.901 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.93 11.56 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.154 0.427 . . . . 2.77 112.154 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.53 -25.67 21.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 2.44 110.642 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.62 -4.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 1.51 111.009 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.518 ' OH ' ' HG2' ' A' ' 79' ' ' LYS . 22.9 t80 -91.11 133.49 35.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.466 . . . . 1.51 109.774 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.206 -0.452 . . . . 2.03 111.09 -179.604 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 42.7 mt-10 . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 121.284 0.564 . . . . 2.91 111.711 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -81.03 84.21 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.904 -0.589 . . . . 1.46 109.491 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -72.86 126.64 30.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 2.65 109.867 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -109.71 126.08 53.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.049 0.452 . . . . 2.52 110.375 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.11 149.51 17.26 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.647 -0.706 . . . . 1.41 111.929 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 44.69 42.5 5.9 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.968 0.907 . . . . 3.19 112.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 60.1 38.62 20.34 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.358 0.599 . . . . 1.87 110.81 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -142.79 134.17 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.633 -0.712 . . . . 1.53 110.835 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -100.52 115.01 29.12 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.331 -0.989 . . . . 0.81 108.331 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -134.13 128.73 34.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.669 0.747 . . . . 1.27 112.13 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 17.2 mt -91.36 119.75 39.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.127 -0.942 . . . . 1.35 109.263 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.8 161.33 23.72 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.546 -0.835 . . . . 1.52 112.189 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.6 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.334 0.588 . . . . 2.62 110.991 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -157.31 156.98 33.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.813 -0.63 . . . . 1.69 109.585 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.22 -43.11 74.2 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.063 0.394 . . . . 2.72 112.063 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -87.45 4.5 43.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.12 0.486 . . . . 2.92 110.567 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.7 m-80 -115.07 20.04 15.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.721 -0.672 . . . . 2.81 109.935 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 109.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 1.59 110.847 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.77 -38.26 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.931 -0.577 . . . . 1.94 109.785 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.603 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -145.62 126.86 14.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 1.25 110.164 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.7 147.79 41.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.353 0.597 . . . . 1.57 112.05 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.9 tt -131.31 132.47 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 1.09 108.559 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -113.17 136.32 52.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.209 0.528 . . . . 1.29 112.304 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -136.15 138.76 42.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 1.16 109.402 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.2 mtm105 -125.46 141.69 51.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 4.43 111.042 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.95 95.77 5.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.597 -0.729 . . . . 0.92 109.604 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.71 -28.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.536 -0.302 . . . . 1.52 110.925 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -144.3 33.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 1.74 110.993 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 67.85 -66.37 0.22 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.911 -0.586 . . . . 3.36 111.533 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -90.45 18.79 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.18 0.514 . . . . 2.34 110.003 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -138.54 115.37 10.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.303 -0.862 . . . . 2.25 109.209 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.31 124.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 1.13 110.767 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.4 t30 -105.8 118.48 36.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.625 . . . . 1.82 110.799 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.91 116.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.791 -0.818 . . . . 1.37 108.791 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' C ' ' HG ' ' A' ' 75' ' ' CYS . 2.9 t0 -78.74 -59.33 2.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 2.47 111.591 -178.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -141.19 167.86 21.16 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.522 -0.471 . . . . 2.94 111.664 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -144.48 109.45 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 1.22 109.97 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.37 93.45 0.66 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.847 -0.692 . . . . 0.73 111.567 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 t -99.82 150.74 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.763 0.316 . . . . 1.5 111.309 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 1.94 110.356 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 N-CA-C 112.651 -0.18 . . . . 1.45 112.651 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.17 -34.65 57.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.943 0.401 . . . . 1.74 110.895 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.58 -29.47 75.26 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.8 -0.714 . . . . 0.66 112.205 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 18.9 mttt -68.03 -39.74 83.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.946 -0.39 . . . . 2.54 109.946 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -42.66 99.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 2.91 110.381 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.06 -45.35 77.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 1.51 110.807 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.31 -39.1 92.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.81 110.335 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -60.78 -38.34 84.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 1.98 110.421 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.33 97.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 1.29 110.452 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.62 -47.03 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 1.18 110.14 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.59 -41.97 89.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 116.068 -0.515 . . . . 1.11 110.842 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -60.31 -53.61 55.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.719 -0.673 . . . . 1.76 110.933 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.561 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 2.8 t60 -66.14 -32.7 74.3 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.802 -0.635 . . . . 1.26 111.247 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.25 -47.71 81.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 1.23 111.102 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -62.57 -36.01 81.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.655 -0.248 . . . . 3.8 111.14 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.561 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 52.2 mt-10 -58.26 -40.52 82.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.82 111.496 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.69 8.8 33.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.33 -0.395 . . . . 1.51 112.017 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.32 54.34 7.78 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.704 0.764 . . . . 2.7 110.319 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.25 138.51 36.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.371 -0.831 . . . . 1.26 110.924 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -82.82 132.26 35.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.932 -0.766 . . . . 3.46 108.932 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.2 mt -105.8 128.46 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.378 0.609 . . . . 1.53 112.558 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 2.3 pt -136.39 139.95 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.892 -1.049 . . . . 1.64 108.538 178.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.92 138.97 53.38 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.799 -0.36 . . . . 1.15 111.447 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -94.84 -28.82 15.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.157 0.503 . . . . 1.25 110.317 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.432 ' HG ' ' C ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -70.53 132.28 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.595 -0.73 . . . . 1.99 110.341 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -36.35 76.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 1.44 111.776 -179.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.96 -57.34 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 1.06 111.16 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 1.12 111.027 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -62.28 -40.84 97.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.566 . . . . 1.76 110.093 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -65.92 -37.08 85.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 1.41 110.387 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 36.7 mtp -68.55 -43.18 77.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.454 . . . . 1.91 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.91 -35.28 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.23 110.249 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -78.86 -20.93 48.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.76 111.23 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -82.49 -50.51 8.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.668 0.271 . . . . 2.69 111.114 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.01 115.27 23.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.835 0.35 . . . . 1.6 111.167 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.62 -32.13 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 2.66 111.37 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -34.56 77.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 1.7 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -88.8 -28.94 20.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.239 0.542 . . . . 1.11 109.734 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.36 -19.47 63.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.443 -0.799 . . . . 2.77 111.654 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.68 -49.13 72.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.732 0.301 . . . . 2.44 111.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 m -87.62 -12.4 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 1.51 111.318 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.07 94.88 8.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.409 0.623 . . . . 1.51 109.697 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.586 -0.734 . . . . 2.03 110.373 179.769 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.718 0.294 . . . . 2.91 110.408 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 mt -77.42 97.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.312 0.577 . . . . 1.46 109.95 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -81.41 123.89 28.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.623 -0.717 . . . . 2.65 110.436 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.28 142.54 45.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 2.52 110.672 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.3 -168.49 11.31 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.297 -0.721 . . . . 1.41 111.297 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.37 87.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 3.19 111.229 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.23 39.48 30.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.554 0.693 . . . . 1.87 110.089 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 59.3 pttt -156.69 171.63 20.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.01 -0.996 . . . . 1.53 110.91 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -130.31 127.76 40.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.548 -0.908 . . . . 0.81 108.548 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -136.0 146.72 47.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.678 -0.409 . . . . 1.27 111.131 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -125.44 121.1 59.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.859 -0.61 . . . . 1.35 109.778 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.76 -179.61 35.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.488 -0.645 . . . . 1.52 111.488 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.92 -49.36 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.031 0.443 . . . . 2.62 110.743 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.76 164.26 27.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.714 -0.676 . . . . 1.69 109.779 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.45 -23.93 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.313 . . . . 2.72 111.198 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -88.42 -23.31 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.42 0.628 . . . . 2.92 109.325 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -120.86 51.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.336 -0.847 . . . . 2.81 109.242 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.35 148.04 22.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 1.59 111.186 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 mt -74.99 -37.98 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.754 -0.832 . . . . 1.94 108.754 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -172.17 145.2 1.72 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.165 -0.925 . . . . 1.25 110.662 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -142.3 140.98 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.486 . . . . 1.57 110.584 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -121.35 136.62 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.912 -0.585 . . . . 1.09 109.752 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.9 p -119.77 145.69 46.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.242 -0.435 . . . . 1.29 110.289 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.53 153.63 46.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.739 0.304 . . . . 1.16 110.408 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -135.3 158.97 43.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.123 -0.49 . . . . 4.43 110.395 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -96.6 110.08 22.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.539 -0.541 . . . . 0.92 109.539 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.1 m -78.73 -23.25 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.195 0.522 . . . . 1.52 110.821 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -141.72 -88.73 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.764 -0.653 . . . . 1.74 109.275 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -151.47 -54.81 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 3.36 110.575 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.433 ' OD1' HD21 ' A' ' 69' ' ' LEU . 31.6 t30 -102.0 12.6 36.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.316 0.579 . . . . 2.34 110.305 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -122.38 121.06 35.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 2.25 110.234 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 pt -117.14 131.3 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.435 . . . . 1.13 110.785 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -111.07 140.08 45.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.843 -0.617 . . . . 1.82 110.05 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.38 114.35 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.13 -0.693 . . . . 1.37 109.13 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -74.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 2.47 110.75 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -137.66 156.79 47.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 2.94 110.922 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.14 97.0 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 1.22 110.795 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.78 119.91 5.89 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.49 -0.862 . . . . 0.73 110.972 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.99 137.98 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.647 0.26 . . . . 1.5 110.732 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 109.895 -0.409 . . . . 1.94 109.895 178.449 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 CA-C-O 120.14 -0.255 . . . . 1.45 113.354 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -58.33 -45.4 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.909 0.355 . . . . 1.74 111.411 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -42.82 87.95 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.042 -0.599 . . . . 0.66 112.711 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -69.66 -35.06 74.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 2.54 110.552 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -65.22 -35.12 80.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 2.91 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.13 -53.28 55.9 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 1.51 110.321 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' HG21 ' A' ' 61' ' ' VAL . 7.4 mp -64.42 -30.65 71.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.724 -0.671 . . . . 1.81 110.43 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.85 -47.53 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 1.98 110.176 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.69 97.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.033 0.444 . . . . 1.29 111.008 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.98 -47.13 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.18 110.152 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 73.4 t -63.35 -41.16 91.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.373 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.9 mt-10 -58.48 -52.54 65.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.417 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.0 t60 -62.67 -31.76 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 1.26 110.52 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.2 -32.32 72.47 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.139 -0.482 . . . . 1.23 110.049 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 35.5 mmt180 -74.75 -34.0 62.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.246 0.546 . . . . 3.8 109.937 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 44.2 mt-10 -69.96 -50.6 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.531 -0.759 . . . . 1.82 111.695 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -93.55 -4.4 51.05 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.362 0.505 . . . . 1.51 112.362 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 62.91 44.26 6.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.098 0.475 . . . . 2.7 110.533 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD21 ' OD1' ' A' ' 34' ' ' ASN . 7.4 mt -88.01 153.25 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.511 -0.768 . . . . 1.26 110.911 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.92 139.05 30.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.119 -0.697 . . . . 3.46 109.119 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 38.7 mm -104.0 120.67 54.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.365 0.602 . . . . 1.53 112.211 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -126.09 135.84 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.885 -1.154 . . . . 1.64 107.885 177.557 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.4 120.62 38.14 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.871 0.693 . . . . 1.15 112.871 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -94.92 -32.27 13.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.333 -0.849 . . . . 1.25 109.001 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 10.7 t -72.79 126.54 30.15 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.314 -0.857 . . . . 1.99 109.858 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -43.14 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.525 0.565 . . . . 1.44 112.525 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.43 -55.2 36.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 1.06 111.532 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.94 97.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 1.12 111.044 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HZ3' ' CD ' ' A' ' 83' ' ' GLU . 8.8 tmtt? -60.12 -41.18 92.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 1.76 110.51 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -65.11 -35.35 80.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 1.41 111.4 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.4 mtp -77.92 -43.33 30.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.815 0.341 . . . . 1.91 111.133 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.5 -28.51 68.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 1.23 111.397 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.517 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 10.6 tt0 -85.29 -17.38 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.04 -0.527 . . . . 1.76 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -88.17 -53.62 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 2.69 111.198 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -69.7 129.13 38.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 1.6 110.939 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -63.22 -44.14 96.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.612 -0.722 . . . . 2.66 111.314 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -29.5 70.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 1.7 111.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -81.97 -28.79 32.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 1.11 110.484 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -69.05 -14.23 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 2.77 111.053 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -78.24 -34.94 48.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.172 -0.467 . . . . 2.44 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -36.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 1.51 110.79 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 8.6 t80 -80.49 131.95 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.89 -0.595 . . . . 1.51 110.23 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.29 0.567 . . . . 2.03 110.983 -179.561 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.844 -0.428 . . . . 2.91 109.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.0 mt -76.92 104.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.195 -0.457 . . . . 1.46 110.567 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -88.07 117.95 27.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.279 -0.637 . . . . 2.65 109.279 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -88.6 124.06 33.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.863 -0.608 . . . . 2.52 112.157 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.4 -173.05 19.02 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 109.463 -1.455 . . . . 1.41 109.463 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.94 101.04 1.04 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.952 0.876 . . . . 3.19 111.032 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 39.3 m-80 63.17 38.75 10.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.081 -0.963 . . . . 1.87 111.353 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -163.15 153.91 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 1.53 111.399 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -126.43 128.07 46.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.355 -0.98 . . . . 0.81 108.355 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -136.57 147.9 47.25 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.317 -0.553 . . . . 1.27 111.654 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -122.2 124.03 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.558 -0.746 . . . . 1.35 109.863 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.52 166.56 29.62 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.161 -0.776 . . . . 1.52 111.161 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -72.47 -28.27 62.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.917 0.358 . . . . 2.62 110.449 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -140.93 161.2 38.39 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 1.69 109.713 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -66.07 -37.61 86.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 2.72 110.872 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -73.92 -29.52 62.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 2.92 110.097 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -102.71 44.71 1.0 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.216 0.531 . . . . 2.81 110.366 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 105.71 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 1.59 109.948 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.79 -40.01 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 1.94 110.575 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -149.11 144.24 26.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.85 -0.614 . . . . 1.25 109.904 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -151.29 149.93 29.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.052 0.453 . . . . 1.57 110.979 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.36 135.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.511 -0.768 . . . . 1.09 109.097 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -114.69 139.47 49.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.724 0.297 . . . . 1.29 111.035 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.43 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.4 p90 -138.57 162.94 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.544 -0.539 . . . . 1.16 109.544 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -161.34 145.45 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.767 0.318 . . . . 4.43 111.102 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -80.34 103.41 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.92 110.06 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 m -90.67 -15.97 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.256 -0.429 . . . . 1.52 111.051 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -137.37 -163.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.157 -0.682 . . . . 1.74 109.157 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -65.27 -43.56 90.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.559 0.218 . . . . 3.36 111.056 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -138.85 24.6 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.687 0.279 . . . . 2.34 110.844 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -107.52 124.16 49.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.798 0.332 . . . . 2.25 110.641 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pt -110.0 123.16 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 1.13 110.439 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.623 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 20.2 t-20 -102.8 130.0 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.915 -0.584 . . . . 1.82 110.993 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.44 115.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.835 -0.621 . . . . 1.37 109.407 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.84 -68.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.321 -0.854 . . . . 2.47 111.861 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -144.24 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 2.94 111.397 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -139.58 113.62 8.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.35 -0.841 . . . . 1.22 109.563 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -118.95 127.35 7.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.426 -0.892 . . . . 0.73 112.134 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.7 130.25 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.999 -0.371 . . . . 1.5 109.999 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.239 0.543 . . . . 1.94 110.591 179.549 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 CA-C-O 120.315 -0.158 . . . . 1.45 113.166 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.82 -41.43 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.02 0.438 . . . . 1.74 110.201 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.14 -32.51 72.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.917 -0.659 . . . . 0.66 111.838 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -70.82 -40.77 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.546 -0.539 . . . . 2.54 109.546 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.72 -40.81 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.242 -0.89 . . . . 2.91 110.185 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.8 mt -70.1 -44.28 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 1.51 111.234 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.411 ' O ' HG21 ' A' ' 61' ' ' VAL . 59.9 tp -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.774 0.321 . . . . 1.81 110.304 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 17.1 ttpp -62.49 -38.73 90.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 1.98 110.583 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.08 78.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.828 0.347 . . . . 1.29 110.861 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.88 -51.44 27.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.078 -0.51 . . . . 1.18 110.423 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 88' ' ' TYR . 61.6 t -60.18 -38.75 78.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.095 -0.502 . . . . 1.11 111.276 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.1 tt0 -57.99 -49.96 75.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.857 -0.61 . . . . 1.76 110.379 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.436 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 21.7 t60 -70.67 -30.43 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.787 -0.642 . . . . 1.26 110.699 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.67 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 1.23 110.018 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -61.66 -36.4 80.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 3.8 110.963 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 59.2 mt-10 -61.05 -40.94 95.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 1.82 111.598 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -99.76 8.06 44.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.536 -0.302 . . . . 1.51 111.518 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.1 m120 57.64 37.92 27.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.411 0.624 . . . . 2.7 110.577 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.0 mt -79.7 156.39 27.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.661 -0.699 . . . . 1.26 110.987 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.33 132.98 46.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 3.46 108.791 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 mt -106.3 133.41 50.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.459 0.647 . . . . 1.53 112.631 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.623 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.1 pt -135.17 130.3 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.566 -1.272 . . . . 1.64 107.566 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.43 124.03 37.49 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.551 0.574 . . . . 1.15 112.551 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 m -87.35 -24.61 24.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.337 -0.986 . . . . 1.25 108.337 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 15.8 t -67.86 116.59 8.69 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.673 -1.149 . . . . 1.99 109.703 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 1.44 111.748 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.44 -53.79 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 1.06 110.744 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.59 93.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 1.12 110.737 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.746 -0.661 . . . . 1.76 110.304 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -63.64 -41.23 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 1.41 111.767 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 3.7 ttm -77.72 -32.23 52.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.851 -0.34 . . . . 1.91 111.745 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' ' 92' ' ' TYR . 26.2 mt -70.17 -37.95 75.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 1.23 110.64 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.17 -15.45 47.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.155 -0.475 . . . . 1.76 110.792 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 81' ' ' MET . 12.1 tttm -51.54 -40.91 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.76 -0.654 . . . . 2.69 111.239 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.21 141.4 51.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.992 -0.549 . . . . 1.6 110.23 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -3.23 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.51 . . . . 2.66 110.657 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -68.76 -11.43 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.7 110.792 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.412 ' CD1' HG11 ' A' ' 61' ' ' VAL . 22.1 m-85 -115.76 11.36 15.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.176 -0.466 . . . . 1.11 110.843 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.51 -24.71 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.929 0.344 . . . . 2.77 111.929 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -80.45 -31.19 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.565 -0.454 . . . . 2.44 111.102 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.74 -41.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 1.51 111.46 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CD1' HD11 ' A' ' 82' ' ' LEU . 84.0 t80 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.89 0.376 . . . . 1.51 110.12 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 121.113 0.482 . . . . 2.03 110.084 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 55.1 mt-10 . . . . . 0 N--CA 1.469 0.475 0 CA-C-O 121.273 0.559 . . . . 2.91 111.933 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.5 mt -83.23 81.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 1.46 109.694 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -71.87 128.35 35.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.839 -0.619 . . . . 2.65 109.628 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -109.62 122.08 46.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.243 0.544 . . . . 2.52 110.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.18 145.13 11.49 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.468 -0.787 . . . . 1.41 111.72 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 42.48 48.96 4.64 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.993 0.917 . . . . 3.19 112.903 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 57.12 36.71 27.94 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.389 0.614 . . . . 1.87 110.774 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HB2' HG22 ' A' ' 27' ' ' THR . 21.4 ttpt -141.83 129.16 21.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.512 -0.767 . . . . 1.53 111.161 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -97.77 110.9 23.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.936 -1.135 . . . . 0.81 107.936 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -122.96 119.5 30.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.571 0.7 . . . . 1.27 111.279 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 30.9 mt -91.36 112.6 25.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.737 -0.838 . . . . 1.35 108.737 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.5 174.4 43.84 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.393 -0.908 . . . . 1.52 112.187 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.88 -13.92 43.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.125 0.488 . . . . 2.62 111.146 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -155.37 159.29 39.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.414 -0.357 . . . . 1.69 110.593 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -63.81 -27.53 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 2.72 110.579 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 4.14 50.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.167 0.508 . . . . 2.92 110.218 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -136.52 55.63 1.84 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.822 -0.626 . . . . 2.81 110.279 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.08 127.64 36.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.146 -0.479 . . . . 1.59 110.295 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.36 -23.26 57.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 1.94 109.263 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.49 135.94 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.837 . . . . 1.25 110.169 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.6 131.58 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.294 0.569 . . . . 1.57 111.467 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.21 129.03 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.844 -0.798 . . . . 1.09 108.844 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 12' ' ' LYS . 60.5 p -115.51 136.79 52.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.99 0.424 . . . . 1.29 111.457 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -134.73 135.84 42.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.147 -0.686 . . . . 1.16 109.147 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -117.98 142.41 47.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.955 0.407 . . . . 4.43 111.423 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -83.73 102.51 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.642 -0.708 . . . . 0.92 109.851 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 m -88.91 -29.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.74 0.305 . . . . 1.52 111.581 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -145.46 37.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 1.74 110.276 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 63.23 -73.03 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.471 -0.786 . . . . 3.36 112.523 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 12.8 m120 -80.59 12.85 2.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 2.34 110.999 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.64 113.74 12.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.482 -0.562 . . . . 2.25 109.482 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -111.44 123.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.182 -0.463 . . . . 1.13 111.051 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.2 t30 -105.01 122.49 45.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.836 -0.62 . . . . 1.82 110.524 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.538 HG22 ' SG ' ' A' ' 75' ' ' CYS . 82.9 mt -74.7 115.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.291 -0.633 . . . . 1.37 109.291 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.61 -59.81 2.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 2.47 111.219 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -143.96 159.88 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 2.94 111.399 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -145.59 105.16 3.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.525 -0.761 . . . . 1.22 109.058 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.06 143.33 18.04 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.415 -0.897 . . . . 0.73 112.614 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.98 125.27 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.75 -0.463 . . . . 1.5 109.75 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 1.94 109.537 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 N-CA-C 113.156 0.022 . . . . 1.45 113.156 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.8 m -59.69 -31.11 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.877 0.325 . . . . 1.74 111.877 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.56 81.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.926 -0.654 . . . . 0.66 112.514 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -41.51 63.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.259 -0.274 . . . . 2.54 110.259 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -63.53 -34.73 78.43 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.435 . . . . 2.91 110.811 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.1 mt -64.06 -52.71 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.835 -0.62 . . . . 1.51 110.529 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.95 -37.17 86.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.84 -0.618 . . . . 1.81 110.786 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -39.69 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.98 110.424 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.68 94.44 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.224 -0.444 . . . . 1.29 110.65 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -49.01 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.92 -0.582 . . . . 1.18 110.458 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.63 -44.81 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 1.11 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.4 -45.97 92.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 1.76 110.765 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -67.34 -38.4 84.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.118 -0.492 . . . . 1.26 110.901 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.85 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 1.23 111.267 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -68.6 -43.52 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.917 0.389 . . . . 3.8 110.871 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -74.1 -35.77 64.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 1.82 112.121 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -94.42 1.41 55.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.368 0.507 . . . . 1.51 112.368 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 54.06 64.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.686 0.755 . . . . 2.7 109.801 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.16 138.35 48.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 1.26 111.195 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.456 ' HB3' HD21 ' A' ' 93' ' ' LEU . 30.5 mtmt -84.99 124.18 31.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.242 -0.89 . . . . 3.46 108.947 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.0 mt -95.67 132.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.486 0.66 . . . . 1.53 112.393 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.2 pt -139.62 130.03 31.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.895 -1.15 . . . . 1.64 107.895 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.29 145.3 48.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.498 0.555 . . . . 1.15 112.498 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -112.59 -8.16 13.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.533 -0.758 . . . . 1.25 110.066 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -91.29 136.34 33.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.74 -0.664 . . . . 1.99 110.524 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -47.47 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 1.44 112.179 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.52 -54.69 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.556 -0.293 . . . . 1.06 111.764 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.09 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.376 -0.375 . . . . 1.12 111.073 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.67 -46.73 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.76 110.253 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -60.32 -43.42 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 1.41 110.477 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mmm -65.07 -45.1 86.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 1.91 111.574 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 92' ' ' TYR . 33.3 mt -65.55 -37.15 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.384 . . . . 1.23 111.002 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -79.44 -15.99 56.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.76 110.797 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -80.89 -52.69 7.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.862 -0.608 . . . . 2.69 109.901 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.82 112.26 16.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.616 -0.72 . . . . 1.6 110.481 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.34 -32.31 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.013 0.435 . . . . 2.66 110.867 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -25.95 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.982 -0.554 . . . . 1.7 111.578 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -89.05 -17.55 29.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 1.11 111.05 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -74.15 -3.22 28.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.577 0.584 . . . . 2.77 112.577 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.15 -28.47 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.751 -0.463 . . . . 2.44 109.751 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.79 -16.78 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.891 -0.595 . . . . 1.51 110.99 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.502 ' CD1' HD13 ' A' ' 82' ' ' LEU . 64.5 t80 -99.0 128.41 45.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 1.51 110.291 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 70' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 116.099 -0.501 . . . . 2.03 110.261 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 121.387 0.613 . . . . 2.91 111.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.43 96.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.365 -0.606 . . . . 1.46 109.365 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -85.44 131.31 34.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.884 -0.598 . . . . 2.65 109.576 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -111.81 128.75 56.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.906 0.384 . . . . 2.52 110.375 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.76 145.51 10.93 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.818 -0.706 . . . . 1.41 112.447 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 39.75 52.8 2.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.216 1.007 . . . . 3.19 113.259 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 59.14 38.17 23.81 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.953 -0.567 . . . . 1.87 111.628 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HB2' HG22 ' A' ' 27' ' ' THR . 29.8 ttpt -146.97 136.89 23.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.176 -0.465 . . . . 1.53 111.144 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -105.58 117.04 33.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.991 -1.114 . . . . 0.81 107.991 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -132.08 136.42 47.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.52 0.676 . . . . 1.27 111.563 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.8 mt -104.03 123.04 57.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.302 -0.863 . . . . 1.35 109.559 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 165.61 29.04 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.826 -0.625 . . . . 1.52 111.725 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.38 -14.06 58.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.243 0.544 . . . . 2.62 110.897 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -155.4 156.59 35.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.834 -0.621 . . . . 1.69 109.662 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.81 -39.06 73.47 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.197 0.443 . . . . 2.72 112.197 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.69 3.29 51.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.397 0.617 . . . . 2.92 110.705 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -118.6 30.06 7.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.394 -0.821 . . . . 2.81 109.033 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 101.79 2.28 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.973 -1.012 . . . . 1.59 110.197 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.25 -34.17 75.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.772 -0.649 . . . . 1.94 110.045 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.94 127.19 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.578 -0.737 . . . . 1.25 110.008 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -140.66 136.17 32.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.481 0.658 . . . . 1.57 111.505 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 tt -124.72 130.76 73.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.276 -0.874 . . . . 1.09 108.686 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 12' ' ' LYS . 25.2 p -110.88 135.89 50.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 1.29 111.583 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -134.29 136.68 43.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.334 -0.617 . . . . 1.16 109.334 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -117.33 141.96 47.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.399 -0.364 . . . . 4.43 111.325 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -82.11 85.87 6.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.891 -0.781 . . . . 0.92 108.891 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -74.12 -23.55 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 1.52 112.02 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.77 40.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 1.74 110.519 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 65.8 -68.0 0.13 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.662 -0.699 . . . . 3.36 112.028 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 -17.6 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.196 0.522 . . . . 2.34 110.242 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -94.97 118.88 32.55 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.801 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 pt -112.37 122.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.194 0.521 . . . . 1.13 111.051 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.438 ' HA ' HG13 ' A' ' 72' ' ' ILE . 8.5 t30 -103.36 117.07 33.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.597 -0.729 . . . . 1.82 111.067 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 81.8 mt -74.94 119.4 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.038 -0.727 . . . . 1.37 109.038 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.67 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.47 111.344 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -144.49 172.7 12.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 2.94 111.66 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.7 m -148.34 101.37 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 1.22 109.26 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.08 131.61 10.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.342 -0.933 . . . . 0.73 113.153 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.89 132.05 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.847 -0.427 . . . . 1.5 109.847 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 110.036 -0.357 . . . . 1.94 110.036 179.033 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.517 0 N-CA-C 111.751 -0.539 . . . . 1.45 111.751 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.4 m -57.52 -36.41 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 122.479 0.312 . . . . 1.74 111.38 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.67 99.82 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.819 -0.705 . . . . 0.66 111.631 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.82 -34.55 73.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 2.54 109.864 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -36.68 85.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.563 -0.744 . . . . 2.91 110.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 52' ' ' VAL . 75.1 mt -61.52 -55.65 28.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.127 -0.488 . . . . 1.51 110.764 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.22 -36.84 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.667 . . . . 1.81 111.122 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -42.34 91.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.98 110.372 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.28 76.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 1.29 110.621 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.0 -50.23 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.069 -0.514 . . . . 1.18 110.541 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.41 -38.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 1.11 111.203 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -60.84 -55.64 30.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.366 . . . . 1.76 110.521 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -62.64 -36.02 81.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.997 -0.547 . . . . 1.26 110.677 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.02 66.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.149 -0.478 . . . . 1.23 110.645 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -59.76 -42.26 92.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 3.8 111.45 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -65.75 -30.72 71.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.23 0.456 . . . . 1.82 112.23 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.31 9.94 35.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.671 0.249 . . . . 1.51 111.671 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 55.05 45.16 26.86 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.586 0.707 . . . . 2.7 110.759 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.3 mt -92.32 144.17 25.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.669 . . . . 1.26 110.676 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -91.79 128.24 37.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.852 -0.796 . . . . 3.46 108.852 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.35 122.12 50.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 113.239 0.829 . . . . 1.53 113.239 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.438 HG13 ' HA ' ' A' ' 37' ' ' ASN . 2.9 pt -132.39 118.48 35.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.999 -1.0 . . . . 1.64 108.48 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -105.87 140.01 39.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.978 0.362 . . . . 1.15 111.978 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -92.6 -31.63 15.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.77 -0.65 . . . . 1.25 110.012 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 128.43 35.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.738 -0.664 . . . . 1.99 110.481 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -60.47 -31.03 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 1.44 111.235 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.62 -59.08 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 1.06 110.675 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -36.7 84.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 1.12 111.003 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 43.8 tttm -59.92 -47.02 87.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 1.76 110.45 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 61.4 t60 -66.07 -31.02 71.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 1.41 111.252 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 mtp -65.06 -36.79 85.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.918 0.39 . . . . 1.91 110.124 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.6 mt -73.01 -20.46 61.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.705 -0.68 . . . . 1.23 110.532 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 59.9 mt-10 -84.66 -40.93 16.83 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.53 . . . . 1.76 110.312 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.82 -43.81 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.502 -0.772 . . . . 2.69 111.036 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -83.38 110.66 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.056 0.455 . . . . 1.6 110.313 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.5 -29.68 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.544 . . . . 2.66 111.27 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -68.95 -22.82 64.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.419 . . . . 1.7 110.821 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.46 -29.05 19.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.11 110.566 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -59.35 -18.78 41.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.098 -0.501 . . . . 2.77 112.119 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.18 -51.68 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.609 0.242 . . . . 2.44 111.091 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.8 m -87.27 -23.67 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 1.51 111.275 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -80.01 124.1 28.41 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.571 -0.529 . . . . 1.51 109.571 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.2 pt? . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 116.435 -0.348 . . . . 2.03 110.605 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.68 0.276 . . . . 2.91 110.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.417 HG12 HD11 ' A' ' 15' ' ' ILE . 39.8 mt -60.81 115.88 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 1.46 111.116 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -91.47 140.41 29.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.127 -0.488 . . . . 2.65 110.279 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -90.87 142.09 28.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.529 . . . . 2.52 110.349 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.65 14.04 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.448 -0.661 . . . . 1.41 111.448 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.88 95.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.951 0.376 . . . . 3.19 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.53 35.37 20.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.61 -0.723 . . . . 1.87 110.581 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -159.94 170.89 20.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.582 . . . . 1.53 111.586 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -135.11 138.99 44.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.395 -0.965 . . . . 0.81 108.395 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -141.09 149.29 41.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.217 0.532 . . . . 1.27 111.915 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 HD11 HG12 ' A' ' 6' ' ' ILE . 48.9 mt -128.49 128.38 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.241 -0.891 . . . . 1.35 109.045 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.9 -163.87 34.44 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.241 -0.98 . . . . 1.52 112.339 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.92 -45.64 85.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.815 0.341 . . . . 2.62 111.709 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -161.1 174.13 14.15 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.681 -0.488 . . . . 1.69 109.681 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.7 -33.52 75.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.196 -0.668 . . . . 2.72 109.196 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.63 -11.8 55.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.668 -0.696 . . . . 2.92 110.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -132.69 48.83 2.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.878 -0.601 . . . . 2.81 109.958 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 130.96 37.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.146 0.498 . . . . 1.59 111.916 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -81.67 -57.59 3.38 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.43 -0.952 . . . . 1.94 108.43 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.135 -0.939 . . . . 1.25 109.503 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -147.92 143.3 27.26 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.089 0.471 . . . . 1.57 111.036 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -137.75 129.84 40.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.579 -0.737 . . . . 1.09 109.389 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.609 ' OG1' ' HB2' ' A' ' 40' ' ' HIS . 76.4 p -119.11 135.53 54.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.862 0.363 . . . . 1.29 110.875 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 22.6 p90 -131.82 110.2 10.66 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.349 -0.611 . . . . 1.16 109.349 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -103.99 145.59 29.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.867 -0.606 . . . . 4.43 110.45 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -79.75 118.86 21.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.572 -0.74 . . . . 0.92 110.936 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.8 m -93.64 -14.52 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.748 -0.834 . . . . 1.52 108.748 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 33' ' ' ASN . 14.0 t70 -152.9 -158.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.357 -1.292 . . . . 1.74 108.182 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.496 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 80.4 m-20 -87.3 -40.22 14.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.988 0.423 . . . . 3.36 110.692 -179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -118.12 24.96 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.209 -0.45 . . . . 2.34 110.789 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.04 127.42 32.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 2.25 110.373 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.5 pt -124.01 150.76 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 1.13 110.976 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -125.4 135.64 52.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 1.82 110.617 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 27' ' ' THR . 67.6 mt -99.58 100.43 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.879 -0.786 . . . . 1.37 108.879 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 -23.5 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.638 0.607 . . . . 2.47 112.638 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.609 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 6.8 m80 -127.24 134.02 50.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.256 0.551 . . . . 2.94 112.174 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.43 85.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.115 -0.948 . . . . 1.22 108.894 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.87 137.81 12.67 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.529 -0.843 . . . . 0.73 112.403 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.62 97.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.382 -0.599 . . . . 1.5 109.382 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.316 -0.876 0 CA-C-N 115.864 -0.607 . . . . 1.94 109.816 179.826 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 1.45 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -76.92 -26.08 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.892 0.377 . . . . 1.74 110.733 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.91 -27.56 71.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.886 -0.673 . . . . 0.66 111.984 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -64.79 -37.19 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 2.54 110.716 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -74.13 -31.76 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 2.91 110.684 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.13 -50.9 43.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 1.51 110.883 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.67 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.81 110.894 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -58.55 -42.56 88.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 1.98 110.99 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.83 95.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.29 110.755 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.83 -45.56 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.53 . . . . 1.18 110.273 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.47 -45.29 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 1.11 110.229 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.54 -45.45 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.618 -0.719 . . . . 1.76 110.947 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -64.51 -40.67 96.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.564 . . . . 1.26 110.331 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.14 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 1.23 110.888 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -60.86 -40.06 91.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.901 0.382 . . . . 3.8 110.861 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -69.01 -35.05 76.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.443 0.534 . . . . 1.82 112.443 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -103.44 9.46 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.21 0.448 . . . . 1.51 112.21 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 56.92 56.64 5.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.198 0.523 . . . . 2.7 110.685 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.1 mt -112.53 148.09 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.651 -0.704 . . . . 1.26 110.631 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -95.17 137.61 33.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.945 -0.761 . . . . 3.46 108.945 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.91 123.56 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.702 0.63 . . . . 1.53 112.702 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.45 96.13 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.43 -0.805 . . . . 1.64 108.834 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.65 117.18 18.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.066 -0.515 . . . . 1.15 111.911 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -85.15 -20.43 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 1.25 109.482 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 139.27 33.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.41 -0.814 . . . . 1.99 109.47 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 m -61.15 -45.94 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.875 0.695 . . . . 1.44 112.875 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.3 -51.77 68.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.366 0.506 . . . . 1.06 112.366 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.81 83.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 1.12 111.135 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.44 -35.67 81.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 1.76 110.788 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -59.5 -41.69 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.738 -0.665 . . . . 1.41 111.204 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.6 ttm -77.23 -36.83 54.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.435 -0.348 . . . . 1.91 111.102 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.71 -40.08 86.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 1.23 111.311 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.54 -15.94 58.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 1.76 111.98 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -89.37 -50.39 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.865 0.364 . . . . 2.69 111.065 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.31 120.69 19.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 1.6 110.413 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -63.96 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 2.66 111.151 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -34.04 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.089 0.471 . . . . 1.7 110.851 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -77.43 -21.78 52.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.106 0.479 . . . . 1.11 110.616 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.3 mt-30 -70.52 -5.83 31.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 2.77 111.305 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.88 -45.97 47.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.966 -0.561 . . . . 2.44 110.45 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.71 -7.19 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.093 0.473 . . . . 1.51 110.954 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.431 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 72.0 t80 -89.07 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 1.51 109.931 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.398 -0.365 . . . . 2.03 111.529 -179.477 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 121.405 0.621 . . . . 2.91 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 mt -78.32 95.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 1.46 110.059 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -88.84 121.89 31.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 2.65 109.453 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -98.18 159.41 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.381 -0.372 . . . . 2.52 110.622 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.55 150.37 5.64 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.78 -0.724 . . . . 1.41 112.416 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 42.48 43.79 3.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.226 1.011 . . . . 3.19 113.259 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 61.6 m-20 58.4 41.07 23.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.071 0.462 . . . . 1.87 110.815 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -150.99 138.67 19.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.111 -0.495 . . . . 1.53 111.33 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -106.82 111.96 24.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.482 -0.933 . . . . 0.81 108.482 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.468 0.651 . . . . 1.27 111.366 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mt -107.33 121.72 60.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.418 -0.81 . . . . 1.35 109.7 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.79 175.39 37.56 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.843 -0.617 . . . . 1.52 111.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.19 -28.52 29.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.1 0.476 . . . . 2.62 110.934 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.431 ' HB3' HD21 ' A' ' 21' ' ' ASN . 21.2 t70 -143.34 158.39 43.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.036 -0.529 . . . . 1.69 109.858 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -61.35 -32.88 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.747 -0.206 . . . . 2.72 111.337 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -91.82 10.42 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.207 0.527 . . . . 2.92 110.489 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.431 HD21 ' HB3' ' A' ' 18' ' ' ASP . 45.0 m-80 -136.45 36.68 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 2.81 109.613 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.74 128.17 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.765 -0.652 . . . . 1.59 110.667 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -85.56 -22.67 27.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.246 0.546 . . . . 1.94 109.801 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.72 136.09 11.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 1.25 110.528 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.85 139.68 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.352 0.596 . . . . 1.57 111.743 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 tt -125.48 131.07 72.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.92 -0.77 . . . . 1.09 108.92 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -110.12 133.96 52.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.168 0.509 . . . . 1.29 111.553 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 24.2 p90 -138.98 126.58 21.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.573 -0.74 . . . . 1.16 109.478 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -114.0 143.87 44.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.012 0.434 . . . . 4.43 111.868 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -85.19 94.33 8.87 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.243 -1.021 . . . . 0.92 108.243 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.9 m -86.2 -20.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 1.52 112.357 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -149.57 33.03 0.7 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.74 110.851 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 67.35 -72.65 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.68 -0.691 . . . . 3.36 111.444 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.65 23.15 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 2.34 110.783 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.81 115.38 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 2.25 109.602 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pt -106.92 122.48 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.171 0.51 . . . . 1.13 110.909 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 34.1 t30 -100.32 117.32 34.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.348 -0.842 . . . . 1.82 110.367 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -86.03 117.17 30.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.619 . . . . 1.37 109.642 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.04 -60.49 2.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 2.47 111.271 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -145.15 165.76 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 2.94 111.955 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -137.51 88.83 2.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.162 -0.926 . . . . 1.22 109.032 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.57 102.63 2.86 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.683 -0.77 . . . . 0.73 112.186 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -122.25 131.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 110.313 -0.254 . . . . 1.5 110.313 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.424 0.631 . . . . 1.94 109.961 178.775 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.254 -0.192 . . . . 1.45 112.7 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.78 -43.58 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 122.472 0.309 . . . . 1.74 111.136 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.3 -41.63 96.57 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.826 -0.702 . . . . 0.66 112.421 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -68.55 -38.66 80.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.345 0.593 . . . . 2.54 109.916 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.109 -0.95 . . . . 2.91 111.244 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.1 mt -61.62 -47.9 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 1.51 110.878 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.06 -38.38 90.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 1.81 110.703 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -44.92 86.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.772 -0.649 . . . . 1.98 110.515 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.84 78.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 1.29 111.076 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 56' ' ' LEU . 50.2 t -69.25 -50.86 48.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.141 -0.481 . . . . 1.18 110.314 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.76 -42.15 81.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.991 -0.549 . . . . 1.11 111.002 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 5.3 mt-10 -57.67 -55.42 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.76 110.876 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.97 -35.47 80.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 1.26 110.433 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.11 -52.08 66.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 1.23 110.734 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.67 -32.01 72.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 3.8 111.083 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 54.7 mt-10 -68.5 -27.43 66.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 1.82 111.292 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -111.37 11.97 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.164 -0.471 . . . . 1.51 111.662 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 57.82 31.64 20.79 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.676 0.75 . . . . 2.7 110.754 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.57 128.6 34.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 1.26 110.367 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' HB3' HD21 ' A' ' 93' ' ' LEU . 28.3 mtmt -82.86 139.78 33.27 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.57 -0.9 . . . . 3.46 108.57 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -108.64 127.66 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 112.958 0.725 . . . . 1.53 112.958 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -130.68 105.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.718 -1.128 . . . . 1.64 108.881 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.72 135.04 37.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.909 0.385 . . . . 1.15 111.559 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.8 m -87.7 -22.77 24.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.554 . . . . 1.25 109.833 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 132.94 36.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.99 110.672 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -43.2 94.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.106 -0.497 . . . . 1.44 111.332 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.18 -53.8 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 1.06 111.098 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.95 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 1.12 111.106 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -62.25 -39.93 94.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.528 . . . . 1.76 110.411 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 80.8 t60 -65.15 -38.22 89.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 1.41 110.719 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.8 mmm -64.5 -38.74 92.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.231 0.538 . . . . 1.91 110.086 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.1 mt -68.91 -37.0 78.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.352 -0.84 . . . . 1.23 111.402 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 10.1 pt-20 -78.55 -17.45 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.802 0.334 . . . . 1.76 110.765 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -79.99 -55.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 2.69 110.775 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 85' ' ' GLU . 1.2 tp10 -75.64 130.15 38.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.352 -0.385 . . . . 1.6 111.021 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.5 -41.48 96.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 2.66 110.717 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -30.02 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 1.7 110.905 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -77.17 -34.91 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 1.11 110.237 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.64 -16.28 62.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.124 -0.489 . . . . 2.77 111.677 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.24 -47.99 74.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.361 . . . . 2.44 110.234 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.77 -25.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.154 -0.475 . . . . 1.51 111.315 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -77.27 118.08 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.798 -0.445 . . . . 1.51 109.798 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 70' ' ' LYS . 2.5 pt? . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 116.094 -0.503 . . . . 2.03 110.551 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.887 -0.412 . . . . 2.91 109.887 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.92 95.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.995 0.426 . . . . 1.46 111.119 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -82.58 124.07 29.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.397 -0.594 . . . . 2.65 109.397 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -101.66 128.42 47.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.203 0.525 . . . . 2.52 110.647 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.94 -159.83 11.18 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.206 -0.906 . . . . 1.41 111.278 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.28 92.64 0.02 OUTLIER 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.773 0.429 . . . . 3.19 111.318 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 52.29 46.55 26.45 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.747 -0.66 . . . . 1.87 110.964 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -165.29 158.19 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 1.53 111.343 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -123.57 134.17 53.86 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.576 -0.898 . . . . 0.81 108.576 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -144.11 146.47 32.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.049 0.452 . . . . 1.27 111.295 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 5' ' ' GLU . 86.4 mt -130.57 125.99 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.79 -0.641 . . . . 1.35 109.597 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.43 -173.42 46.23 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.421 -0.895 . . . . 1.52 112.283 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -77.57 -34.69 53.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.343 0.592 . . . . 2.62 110.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -148.11 168.95 21.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.293 -0.867 . . . . 1.69 109.283 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.8 -40.28 79.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.997 0.427 . . . . 2.72 110.091 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -85.77 -24.27 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 2.92 110.07 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -95.73 40.31 1.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 2.81 109.886 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 124.42 27.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.747 -0.66 . . . . 1.59 110.388 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.27 -24.13 43.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.626 0.727 . . . . 1.94 109.451 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.18 133.71 7.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.726 -1.125 . . . . 1.25 109.376 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -145.21 132.89 20.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.957 0.408 . . . . 1.57 111.229 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.58 127.45 70.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.793 -0.639 . . . . 1.09 109.533 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 p -115.58 148.07 40.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.602 -0.272 . . . . 1.29 111.213 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 37.3 p90 -142.84 161.6 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.602 -0.518 . . . . 1.16 109.602 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.89 157.04 43.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.718 0.294 . . . . 4.43 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -88.44 120.37 29.75 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.52 -0.548 . . . . 0.92 109.52 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.4 m -90.23 -37.99 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 1.52 111.647 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -132.0 -81.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.926 -0.31 . . . . 1.74 111.483 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.21 -78.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.013 0.375 . . . . 3.36 112.013 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -105.85 3.15 28.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.03 0.443 . . . . 2.34 110.787 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -86.39 118.45 25.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.907 -0.588 . . . . 2.25 110.666 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -108.03 123.11 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.113 -0.494 . . . . 1.13 110.503 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.7 t30 -98.05 127.45 44.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.84 -0.618 . . . . 1.82 112.016 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.76 106.26 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 107.796 -1.187 . . . . 1.37 107.796 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.64 -34.54 8.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.632 0.604 . . . . 2.47 112.632 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -115.11 135.25 54.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.381 0.61 . . . . 2.94 111.939 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.44 ' CB ' ' HG ' ' A' ' 75' ' ' CYS . 3.1 m -150.34 111.06 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.126 -0.943 . . . . 1.22 109.208 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.05 127.3 6.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.67 -0.776 . . . . 0.73 112.22 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.87 134.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.012 -0.366 . . . . 1.5 110.012 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.548 . . . . 1.94 109.781 179.132 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 112.034 -0.426 . . . . 1.45 112.034 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 t -62.26 -50.75 78.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 1.74 110.603 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -33.52 86.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.906 -0.664 . . . . 0.66 112.191 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -70.67 -40.57 72.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 2.54 110.124 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -67.18 -34.94 78.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 2.91 109.788 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.82 -47.86 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 1.51 109.828 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.21 -34.04 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 1.81 110.008 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.16 -42.74 95.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 1.98 109.849 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.5 92.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.29 110.101 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.51 -48.05 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.94 -0.573 . . . . 1.18 109.782 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.39 -41.22 91.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 115.852 -0.613 . . . . 1.11 110.612 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 1.9 tp10 -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.049 -0.523 . . . . 1.76 110.167 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -64.39 -30.33 71.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.836 -0.62 . . . . 1.26 111.179 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.78 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.286 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.51 -34.44 77.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 3.8 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.5 mt-10 -66.79 -30.64 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 1.82 111.796 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -110.85 8.27 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.079 0.399 . . . . 1.51 112.079 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.9 t30 57.32 39.16 28.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.659 0.742 . . . . 2.7 110.359 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.4 mt -86.76 152.89 22.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.476 -0.783 . . . . 1.26 110.877 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.6 mptt -108.69 121.95 46.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.854 -0.795 . . . . 3.46 108.854 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mt -87.33 127.2 40.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.352 0.596 . . . . 1.53 112.055 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.557 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.6 pt -133.29 91.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.961 -1.018 . . . . 1.64 108.707 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.25 122.77 32.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.574 0.583 . . . . 1.15 112.574 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 m -92.04 -23.68 19.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 1.25 108.818 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.44 ' HG ' ' CB ' ' A' ' 41' ' ' THR . 7.1 t -63.87 124.98 22.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.265 -0.88 . . . . 1.99 109.194 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -44.53 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.376 0.51 . . . . 1.44 112.376 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.84 -51.52 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 1.06 111.146 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.2 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 1.12 110.939 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.36 -46.27 89.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 1.76 110.414 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.27 -42.88 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 1.41 111.591 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.8 ttp -74.72 -37.85 62.45 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.736 -0.386 . . . . 1.91 111.239 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -41.08 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.419 -0.355 . . . . 1.23 111.199 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -76.74 -26.93 55.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.726 -0.472 . . . . 1.76 109.726 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -70.03 -45.86 66.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 2.69 110.106 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.03 98.42 11.26 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.632 -0.713 . . . . 1.6 110.237 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.45 -28.27 65.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.143 0.497 . . . . 2.66 110.664 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -27.3 68.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.598 -0.728 . . . . 1.7 111.958 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -92.04 -2.73 56.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.68 0.276 . . . . 1.11 111.435 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -80.22 7.05 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.234 0.457 . . . . 2.77 112.234 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.62 -25.12 38.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.203 -0.666 . . . . 2.44 109.203 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 m -119.35 -22.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 1.51 110.079 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -89.16 131.27 35.37 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.002 -0.74 . . . . 1.51 109.002 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 111.931 0.345 . . . . 2.03 111.931 -178.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 . . . . . 0 N--CA 1.447 -0.614 0 N-CA-C 109.945 -0.391 . . . . 2.91 109.945 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -68.42 102.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.301 -0.409 . . . . 1.46 110.826 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -86.42 132.45 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.512 -0.551 . . . . 2.65 109.512 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -87.43 137.02 32.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.095 0.474 . . . . 2.52 110.745 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.38 -167.21 12.17 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.205 -0.758 . . . . 1.41 111.205 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.56 97.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.832 0.316 . . . . 3.19 111.154 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.49 36.11 27.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.663 -0.698 . . . . 1.87 110.905 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 51.1 pttt -163.1 173.0 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 1.53 111.753 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -128.92 138.41 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.403 -0.962 . . . . 0.81 108.403 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -152.23 154.97 36.84 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.664 -0.415 . . . . 1.27 111.442 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.6 mt -127.15 136.64 60.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 1.35 109.386 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.58 169.2 12.56 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.033 -0.603 . . . . 1.52 111.619 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.06 -59.81 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.32 . . . . 2.62 110.983 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.59 162.78 25.67 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.364 -0.606 . . . . 1.69 109.364 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -60.8 -39.85 90.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.554 0.216 . . . . 2.72 111.442 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.01 -32.03 73.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.117 0.484 . . . . 2.92 111.168 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -111.34 27.26 9.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 2.81 110.64 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.03 129.85 41.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.561 . . . . 1.59 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.41 -42.07 98.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.433 -0.58 . . . . 1.94 109.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.01 145.71 17.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 1.25 110.666 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -146.17 146.21 30.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.015 0.436 . . . . 1.57 110.473 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 16.7 tt -133.63 133.18 57.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 1.09 109.386 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 p -111.19 140.88 45.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.646 0.26 . . . . 1.29 111.253 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.2 p90 -136.41 150.56 48.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.468 -0.333 . . . . 1.16 110.437 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -142.12 160.95 39.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 4.43 110.488 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -91.26 109.37 20.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.92 109.873 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 m -76.67 -25.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 1.52 110.459 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.32 -79.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.928 -0.578 . . . . 1.74 110.078 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -158.93 -56.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 3.36 110.484 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -99.73 19.04 16.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 2.34 109.923 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -131.98 126.41 33.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.887 -0.597 . . . . 2.25 110.409 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 pt -120.22 133.53 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.948 0.404 . . . . 1.13 110.464 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.6 p-10 -108.09 144.13 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.979 -0.555 . . . . 1.82 110.957 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -91.44 101.21 12.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.912 -0.773 . . . . 1.37 108.912 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -55.48 -63.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 2.47 111.462 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -145.06 164.18 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.076 0.465 . . . . 2.94 111.156 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -142.33 117.99 10.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.532 -0.758 . . . . 1.22 109.287 179.289 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.47 135.33 8.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.527 -0.844 . . . . 0.73 112.503 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.66 142.85 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 1.5 109.443 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.323 -0.58 0 N-CA-C 110.068 -0.345 . . . . 1.94 110.068 179.716 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.231 0 N-CA-C 113.531 0.172 . . . . 1.45 113.531 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 t -61.15 -52.24 63.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 1.74 111.042 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.11 -29.61 74.94 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.871 -0.68 . . . . 0.66 112.459 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -73.54 -29.79 62.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 2.54 110.52 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -67.71 -37.1 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 2.91 109.814 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.91 -48.46 76.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.597 -0.728 . . . . 1.51 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.02 -35.87 76.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.649 -0.705 . . . . 1.81 110.808 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.15 -47.31 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 1.98 110.477 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.7 94.14 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.564 . . . . 1.29 111.271 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.08 -52.09 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 1.18 110.561 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 88' ' ' TYR . 71.7 t -62.92 -38.09 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 1.11 110.713 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 16.3 mt-10 -59.14 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.445 -0.343 . . . . 1.76 110.368 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.553 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.7 t60 -63.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.452 . . . . 1.26 110.256 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.62 -29.3 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 1.23 110.122 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -75.51 -35.33 60.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 3.8 109.915 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.553 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 45.0 mt-10 -72.41 -48.68 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.344 -0.844 . . . . 1.82 111.609 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -92.33 -1.38 57.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.148 0.425 . . . . 1.51 112.148 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 60.98 38.01 17.73 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.953 0.406 . . . . 2.7 111.074 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -82.6 161.27 22.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.887 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -96.92 139.33 33.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.442 -0.799 . . . . 3.46 108.85 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 35.9 mm -106.25 122.22 59.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.098 0.475 . . . . 1.53 111.589 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -132.99 137.14 54.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.542 -0.91 . . . . 1.64 108.542 177.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.11 132.07 55.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 1.15 112.507 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -102.08 -0.11 34.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.592 -0.731 . . . . 1.25 109.339 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 7.5 t -111.03 137.2 48.95 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.284 -0.871 . . . . 1.99 110.301 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.1 m -59.38 -44.71 92.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 1.44 112.227 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.64 -53.87 52.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 1.06 111.363 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB3' ' OG1' ' A' ' 41' ' ' THR . . . -58.57 -41.09 84.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 1.12 111.057 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.748 ' HZ3' ' HH ' ' A' ' 92' ' ' TYR . 32.7 tttm -60.45 -46.45 90.0 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.094 -0.336 . . . . 1.76 110.094 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.65 -41.68 91.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 1.41 110.475 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.1 mmm -65.57 -43.78 88.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.967 -0.561 . . . . 1.91 111.004 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 92' ' ' TYR . 49.3 mt -68.5 -31.84 71.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 1.23 110.932 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 92.9 mt-10 -77.58 -25.58 50.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 1.76 109.816 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -75.58 -52.72 9.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 2.69 110.696 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 108.33 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.222 -0.445 . . . . 1.6 110.649 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.86 -26.82 68.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.956 -0.565 . . . . 2.66 111.042 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -38.4 86.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 1.7 110.421 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.447 ' CD1' HG22 ' A' ' 61' ' ' VAL . 13.9 m-30 -80.55 -29.14 37.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 1.11 109.444 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' A' ' 89' ' ' GLN . 3.3 tt0 -68.41 -9.54 49.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.371 -0.831 . . . . 2.77 111.4 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.54 -40.15 88.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.291 0.567 . . . . 2.44 109.685 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m -103.87 -18.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 1.51 110.911 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.748 ' HH ' ' HZ3' ' A' ' 79' ' ' LYS . 3.1 t80 -86.13 133.0 33.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 1.51 109.998 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.116 -0.493 . . . . 2.03 110.743 -179.813 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.788 0.328 . . . . 2.91 111.409 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -82.78 86.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 1.46 109.764 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.588 ' HZ1' ' HH ' ' A' ' 14' ' ' TYR . 7.1 mmmm -71.94 130.27 40.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.709 -0.678 . . . . 2.65 110.254 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -106.73 128.28 54.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.297 0.57 . . . . 2.52 110.502 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.83 -151.18 8.75 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.449 -0.796 . . . . 1.41 111.631 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.7 87.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.585 0.354 . . . . 3.19 110.641 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 51.2 44.0 28.95 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.681 -0.691 . . . . 1.87 110.532 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -153.82 158.69 41.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.655 -0.702 . . . . 1.53 111.054 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.57 133.23 53.35 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.391 -0.966 . . . . 0.81 108.391 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.588 ' HH ' ' HZ1' ' A' ' 7' ' ' LYS . 14.7 p90 -147.58 148.43 31.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.323 0.582 . . . . 1.27 111.556 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -126.28 121.3 58.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.442 -0.799 . . . . 1.35 109.169 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.93 175.37 45.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.288 -0.958 . . . . 1.52 112.301 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.81 -42.73 69.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.421 0.629 . . . . 2.62 110.634 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.93 165.52 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.116 -0.947 . . . . 1.69 109.595 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.31 -41.77 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.404 . . . . 2.72 110.999 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -82.14 -19.11 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.422 0.629 . . . . 2.92 110.14 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -100.23 41.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.577 -0.738 . . . . 2.81 110.118 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.12 110.82 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 1.59 110.757 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.5 mt -72.69 -26.47 61.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.11 -0.495 . . . . 1.94 110.175 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' TYR . . . -148.96 130.74 15.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.699 -0.682 . . . . 1.25 109.773 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.73 142.91 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.005 0.431 . . . . 1.57 111.207 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -139.87 135.93 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.665 -0.698 . . . . 1.09 109.122 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 145.13 48.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.83 0.348 . . . . 1.29 111.656 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -140.49 161.79 36.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.813 -0.631 . . . . 1.16 109.344 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.93 152.69 32.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.669 0.271 . . . . 4.43 110.393 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -87.42 113.48 23.16 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.407 -0.59 . . . . 0.92 109.407 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.21 -27.01 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 1.52 111.969 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -142.79 -76.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.572 -0.451 . . . . 1.74 111.589 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -134.38 -60.19 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.571 0.582 . . . . 3.36 112.571 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -117.81 -2.18 11.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 2.34 111.401 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -86.84 114.82 23.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.28 -0.418 . . . . 2.25 111.4 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 pt -103.2 120.4 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.87 -0.605 . . . . 1.13 109.861 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.2 t30 -103.67 120.02 40.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.82 111.729 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -82.11 114.04 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.647 -0.871 . . . . 1.37 108.647 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.6 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 30.1 t70 -100.58 -54.18 2.9 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.264 0.838 . . . . 2.47 113.264 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -111.79 141.37 45.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.507 0.67 . . . . 2.94 112.06 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.61 143.09 31.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.983 -1.008 . . . . 1.22 108.503 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.89 114.07 0.59 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 119.338 -1.41 . . . . 0.73 113.822 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 t -123.37 144.61 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.29 -1.004 . . . . 1.5 108.29 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.329 0.585 . . . . 1.94 110.893 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 111.862 -0.495 . . . . 1.45 111.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 t -57.83 -44.82 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 1.74 110.809 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.3 -33.32 86.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.93 -0.652 . . . . 0.66 112.153 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -74.05 -35.28 64.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.685 0.278 . . . . 2.54 110.418 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -58.71 -50.27 74.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.192 -0.458 . . . . 2.91 111.688 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -43.92 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.143 -0.223 . . . . 1.51 111.577 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.95 -40.07 95.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.103 0.478 . . . . 1.81 110.196 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HG2' ' OE2' ' A' ' 62' ' ' GLU . 26.9 ttpp -58.61 -41.55 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 1.98 110.401 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.98 77.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.942 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -67.77 -43.31 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.579 -0.526 . . . . 1.18 109.579 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' A' ' 71' ' ' ILE . 85.5 t -64.24 -42.46 95.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.514 -0.766 . . . . 1.11 110.554 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.529 ' OE2' ' HG2' ' A' ' 58' ' ' LYS . 52.1 mt-10 -64.98 -47.01 79.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.564 -0.744 . . . . 1.76 111.266 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -66.13 -31.67 72.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.155 -0.475 . . . . 1.26 110.447 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.85 88.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 1.23 110.442 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.1 -33.85 76.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 3.8 110.772 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.74 -38.94 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 1.82 111.378 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.55 12.33 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.104 0.409 . . . . 1.51 112.104 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 56.81 38.18 29.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.501 0.667 . . . . 2.7 110.693 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.6 mt -81.72 161.65 23.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.568 -0.742 . . . . 1.26 111.03 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.1 mptt -110.08 130.21 55.57 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.589 -0.893 . . . . 3.46 108.589 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 61' ' ' VAL . 54.8 mt -100.71 127.46 53.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.732 0.777 . . . . 1.53 112.622 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -135.18 158.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.395 -1.275 . . . . 1.64 107.628 177.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.77 136.29 20.42 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.961 -0.696 . . . . 1.15 112.478 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 p -98.32 -22.14 16.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.749 -0.834 . . . . 1.25 108.749 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 7.5 t -71.4 130.6 41.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.964 -1.016 . . . . 1.99 110.029 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -46.12 91.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 1.44 111.386 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.57 -49.77 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 1.06 110.872 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -45.88 93.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 1.12 111.009 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -64.37 -41.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 1.76 110.269 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -58.66 -40.54 83.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.409 -0.36 . . . . 1.41 110.504 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mtp -64.48 -41.41 96.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 1.91 110.198 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.4 -38.2 74.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 1.23 110.77 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.33 -39.62 81.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 1.76 110.997 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -72.69 -36.02 67.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 2.69 110.684 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.01 84.65 6.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.322 -0.622 . . . . 1.6 109.322 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.84 -25.07 62.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.171 -0.468 . . . . 2.66 111.526 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -9.94 59.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.034 -0.53 . . . . 1.7 111.163 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -96.17 -2.72 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.424 -0.353 . . . . 1.11 111.089 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.9 6.37 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.452 . . . . 2.77 110.975 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -26.53 58.06 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.344 -0.613 . . . . 2.44 109.344 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.87 -22.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.651 -0.704 . . . . 1.51 110.691 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -86.45 132.52 33.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.51 110.256 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 2.03 111.383 -179.466 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.705 0.288 . . . . 2.91 110.749 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -80.76 109.09 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.335 -0.393 . . . . 1.46 110.741 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -94.24 125.58 38.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.392 -0.367 . . . . 2.65 110.448 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -88.12 114.48 24.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.482 0.658 . . . . 2.52 109.783 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.1 -161.55 22.71 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.263 -0.88 . . . . 1.41 111.774 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.03 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 3.19 110.545 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 52.36 43.23 31.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.583 -0.735 . . . . 1.87 110.496 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -160.13 172.37 17.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 1.53 111.256 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -132.84 128.1 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.27 -1.011 . . . . 0.81 108.27 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.96 152.72 46.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.06 0.457 . . . . 1.27 111.269 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.79 134.61 53.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.403 -0.817 . . . . 1.35 109.473 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 -169.75 41.57 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.173 -1.013 . . . . 1.52 112.597 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.98 -31.08 50.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.344 0.592 . . . . 2.62 110.097 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -159.17 170.73 21.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.033 -0.985 . . . . 1.69 108.687 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.75 -35.77 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.221 0.534 . . . . 2.72 110.047 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -86.45 -22.9 26.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.288 0.566 . . . . 2.92 110.125 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -101.55 44.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.694 . . . . 2.81 109.546 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.04 131.27 41.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.544 -0.753 . . . . 1.59 111.24 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -96.4 -15.55 21.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.846 -0.615 . . . . 1.94 109.641 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.96 134.99 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 1.25 109.048 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -153.23 134.87 14.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.247 0.546 . . . . 1.57 112.028 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -128.75 130.01 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.324 -0.853 . . . . 1.09 109.042 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -119.71 142.96 48.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 1.29 111.41 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -143.67 167.91 21.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.35 -0.611 . . . . 1.16 109.35 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 154.05 34.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.68 0.276 . . . . 4.43 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -80.37 103.13 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.92 109.249 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.29 -31.93 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.435 -0.348 . . . . 1.52 111.627 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -130.76 -88.89 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.35 -0.54 . . . . 1.74 111.698 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -126.31 -57.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.827 -0.349 . . . . 3.36 111.796 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -121.6 4.78 10.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 2.34 110.203 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -94.2 116.81 29.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.341 -0.845 . . . . 2.25 111.319 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 pt -106.86 124.55 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.726 -0.67 . . . . 1.13 109.598 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.8 t30 -105.99 131.09 53.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.155 -0.475 . . . . 1.82 111.8 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.63 119.53 33.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.885 -0.598 . . . . 1.37 109.662 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.12 -26.03 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 2.47 111.943 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -143.84 135.06 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.56 . . . . 2.94 111.728 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.58 103.75 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 1.22 109.774 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.05 137.03 9.49 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.323 -0.942 . . . . 0.73 112.784 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.72 132.1 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.404 -0.591 . . . . 1.5 109.404 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 121.265 0.555 . . . . 1.94 111.216 -179.283 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.627 0 N-CA-C 111.591 -0.604 . . . . 1.45 111.591 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.77 -31.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 1.74 110.595 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.01 95.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.949 -0.643 . . . . 0.66 111.999 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -71.09 -34.07 70.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.757 -0.46 . . . . 2.54 109.757 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -70.17 -36.88 75.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.747 -0.66 . . . . 2.91 109.81 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.16 -46.64 76.7 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.313 -0.625 . . . . 1.51 109.313 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 tp -62.41 -34.69 77.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.588 -0.733 . . . . 1.81 109.433 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -61.37 -44.81 96.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.683 -0.69 . . . . 1.98 109.615 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.46 98.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.781 -0.645 . . . . 1.29 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.76 -46.16 97.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 1.18 109.74 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.18 -44.74 99.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.751 -0.659 . . . . 1.11 110.584 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 43.0 mt-10 -59.24 -50.06 75.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 1.76 110.166 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -62.17 -40.37 95.79 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.779 -0.646 . . . . 1.26 110.752 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.645 . . . . 1.23 110.998 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.63 -40.96 89.34 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.052 0.22 . . . . 3.8 111.014 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 45.1 mt-10 -61.72 -27.71 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 1.82 111.484 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -109.24 10.16 25.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.366 -0.379 . . . . 1.51 111.323 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 t30 56.19 34.79 24.58 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.559 0.695 . . . . 2.7 111.415 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -87.32 162.23 17.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.88 -0.6 . . . . 1.26 111.225 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.0 mptt -112.41 137.58 50.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.885 -0.783 . . . . 3.46 108.885 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -109.13 132.49 57.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.323 0.582 . . . . 1.53 112.032 -178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -133.7 161.18 41.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.592 -1.262 . . . . 1.64 107.592 177.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.03 130.8 18.03 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.531 -0.867 . . . . 1.15 113.2 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -94.86 -30.16 14.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.389 -0.967 . . . . 1.25 108.389 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.24 129.54 41.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.779 -1.1 . . . . 1.99 109.752 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -51.5 59.84 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.201 -0.454 . . . . 1.44 112.194 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.437 ' O ' ' HG2' ' A' ' 81' ' ' MET . 76.0 t80 -61.38 -50.31 73.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.654 -0.248 . . . . 1.06 111.244 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.7 96.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.09 0.404 . . . . 1.12 112.09 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -63.13 -43.53 98.13 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.833 -0.432 . . . . 1.76 109.833 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.11 -30.34 70.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.966 -0.561 . . . . 1.41 109.928 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 44.9 mmm -70.75 -49.47 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.91 111.258 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 92' ' ' TYR . 31.2 mt -68.1 -24.6 65.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.07 -0.514 . . . . 1.23 111.328 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -84.32 -23.22 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 1.76 110.21 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -85.96 -43.75 12.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.932 -0.576 . . . . 2.69 110.573 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.07 94.84 7.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.009 -0.541 . . . . 1.6 110.451 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -16.83 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 2.66 110.89 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -70.3 -7.6 43.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 1.7 111.298 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -113.22 14.71 19.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.824 0.345 . . . . 1.11 110.743 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.21 -17.84 64.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.909 0.337 . . . . 2.77 111.909 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.519 -0.31 . . . . 2.44 111.174 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 m -103.34 -32.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.095 -0.242 . . . . 1.51 110.998 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.401 ' CD1' HD11 ' A' ' 82' ' ' LEU . 47.4 t80 -86.52 137.49 32.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.336 . . . . 1.51 110.156 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.336 -0.393 . . . . 2.03 111.368 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.435 -0.209 . . . . 2.91 110.435 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -73.58 94.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 1.46 109.644 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.828 ' HZ3' ' HH ' ' A' ' 14' ' ' TYR . 12.0 mmmm -76.39 125.93 30.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.483 -0.78 . . . . 2.65 110.563 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -98.95 120.79 39.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.208 0.528 . . . . 2.52 110.259 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.25 -162.6 13.65 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.768 -0.651 . . . . 1.41 111.59 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.26 91.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.734 0.414 . . . . 3.19 110.971 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 52.63 39.2 27.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.746 -0.661 . . . . 1.87 111.198 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -155.32 156.68 35.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 1.53 110.888 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -122.68 130.02 52.49 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.678 -0.86 . . . . 0.81 108.678 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.828 ' HH ' ' HZ3' ' A' ' 7' ' ' LYS . 14.8 p90 -143.28 151.16 40.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.196 0.522 . . . . 1.27 111.035 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.98 120.64 50.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.652 -0.704 . . . . 1.35 109.201 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.35 172.04 44.44 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.88 -0.676 . . . . 1.52 111.881 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.58 -28.25 62.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 2.62 110.62 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -149.27 165.56 31.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.578 -0.527 . . . . 1.69 109.578 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.41 -29.41 70.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.888 0.375 . . . . 2.72 110.607 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -95.11 4.57 53.53 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.539 0.685 . . . . 2.92 109.909 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -126.63 43.86 3.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.553 -0.749 . . . . 2.81 110.092 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.26 114.03 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.969 -0.559 . . . . 1.59 110.693 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -84.04 -11.27 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.351 0.596 . . . . 1.94 109.486 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.71 128.02 2.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.116 -0.947 . . . . 1.25 108.927 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.11 138.84 23.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.211 0.529 . . . . 1.57 111.967 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -134.04 128.99 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.204 -0.907 . . . . 1.09 109.285 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -117.87 137.74 52.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 1.29 111.574 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -135.75 167.07 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.408 -0.59 . . . . 1.16 109.408 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -161.2 154.97 22.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.818 0.342 . . . . 4.43 111.109 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.12 114.74 21.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.902 -0.777 . . . . 0.92 108.902 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.3 m -90.8 -29.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.24 0.459 . . . . 1.52 112.24 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 10.8 t70 -131.93 -81.28 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.673 -0.411 . . . . 1.74 111.066 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -131.44 -70.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 3.36 111.387 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -110.57 0.07 17.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.205 0.526 . . . . 2.34 110.216 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 15.1 mp0 -84.49 116.48 23.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.686 -0.688 . . . . 2.25 110.999 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 pt -107.39 121.74 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.03 -0.532 . . . . 1.13 109.659 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 9.6 t30 -103.66 125.62 50.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 1.82 111.759 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.71 124.21 40.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.811 -0.811 . . . . 1.37 108.811 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -100.84 -53.56 3.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.169 0.433 . . . . 2.47 112.169 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -112.73 140.53 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.323 0.583 . . . . 2.94 112.035 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -148.8 107.71 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.096 -0.956 . . . . 1.22 108.524 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.33 152.65 22.51 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.208 -0.996 . . . . 0.73 113.104 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.48 125.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.485 -0.561 . . . . 1.5 109.485 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.32 -0.713 0 CA-C-O 121.208 0.528 . . . . 1.94 110.763 -179.83 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.177 0 CA-C-O 120.462 -0.076 . . . . 1.45 113.04 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.86 -32.92 53.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 1.74 110.919 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.7 -27.93 67.21 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.857 -0.611 . . . . 0.66 112.289 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -70.07 -32.09 70.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 2.54 110.204 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -73.33 -40.5 64.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.547 -0.538 . . . . 2.91 109.547 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.95 -47.47 77.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.523 -0.762 . . . . 1.51 109.965 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.12 -38.39 88.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.703 -0.681 . . . . 1.81 110.26 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -58.01 -42.94 86.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.239 -0.437 . . . . 1.98 110.308 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.36 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.793 -0.64 . . . . 1.29 110.323 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.35 -46.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.914 -0.402 . . . . 1.18 109.914 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.414 ' HA ' HD11 ' A' ' 71' ' ' ILE . 54.7 t -59.53 -44.68 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.754 -0.657 . . . . 1.11 110.44 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -65.92 -45.62 81.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 1.76 111.025 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.514 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.8 t60 -65.75 -35.75 81.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.785 0.326 . . . . 1.26 111.043 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.72 93.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.155 -0.475 . . . . 1.23 110.134 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 90' ' ' ASP . 27.8 tpt180 -62.18 -37.45 85.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.545 . . . . 3.8 110.546 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.9 mt-10 -63.12 -36.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.82 111.665 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.422 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 38.2 m-80 -103.85 5.52 35.9 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.429 0.529 . . . . 1.51 112.429 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.16 37.27 20.87 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.747 0.784 . . . . 2.7 110.542 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 69.4 mt -83.53 158.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 1.26 110.821 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.6 mptt -104.3 125.15 50.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.827 -0.805 . . . . 3.46 108.827 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 61' ' ' VAL . 53.8 mt -96.67 125.93 49.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.56 0.695 . . . . 1.53 112.829 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -135.05 153.03 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.444 -1.317 . . . . 1.64 107.444 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.61 141.14 37.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.993 -0.683 . . . . 1.15 112.669 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 m -92.83 -32.23 14.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.322 -0.854 . . . . 1.25 108.923 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -67.18 129.49 40.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.265 -0.88 . . . . 1.99 109.845 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -57.04 -35.18 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.437 -0.347 . . . . 1.44 111.323 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -65.08 -62.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.911 -0.586 . . . . 1.06 111.838 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -58.01 -42.35 85.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 1.12 111.796 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.86 -39.54 89.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 1.76 110.202 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.459 ' HA ' ' HG2' ' A' ' 83' ' ' GLU . 69.3 t60 -69.79 -29.99 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.41 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.57 -35.65 73.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.956 0.408 . . . . 1.91 110.606 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 45.5 mt -72.11 -45.38 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 1.23 111.0 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 26.1 pt-20 -73.22 -19.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 1.76 111.503 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 5.6 ttpp -75.63 -11.4 60.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.522 . . . . 2.69 110.448 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.65 106.66 11.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.997 -0.547 . . . . 1.6 110.39 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.82 -27.14 68.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.518 0.675 . . . . 2.66 110.235 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -79.13 -0.28 31.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.438 -0.801 . . . . 1.7 111.991 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -92.9 4.73 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.947 0.403 . . . . 1.11 110.56 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -70.74 0.92 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 2.77 111.813 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.407 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 16.8 p-10 -82.97 -22.66 33.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.193 0.52 . . . . 2.44 109.672 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.414 HG23 HG12 ' A' ' 61' ' ' VAL . 4.9 m -124.64 -31.66 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.566 -0.743 . . . . 1.51 110.529 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -88.39 137.57 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 1.51 109.832 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 2.03 111.211 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 15' ' ' ILE . 12.2 mm-40 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 110.353 -0.239 . . . . 2.91 110.353 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -79.53 97.01 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.188 -0.46 . . . . 1.46 110.855 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 18.9 mmmt -90.99 117.52 29.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 2.65 110.369 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.19 129.05 39.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 2.52 110.046 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.58 -153.14 10.58 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.485 -0.78 . . . . 1.41 111.19 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 89.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.694 0.247 . . . . 3.19 110.349 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.53 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.2 m-80 52.6 44.54 29.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.779 -0.646 . . . . 1.87 110.14 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HZ3' ' CD ' ' A' ' 19' ' ' GLU . 32.2 pttt -154.63 168.81 25.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.821 -0.627 . . . . 1.53 111.376 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.1 119.45 20.99 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.751 -0.833 . . . . 0.81 108.751 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 25.6 p90 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.891 0.377 . . . . 1.27 110.886 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 5' ' ' GLU . 61.6 mt -136.05 131.9 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.804 -0.635 . . . . 1.35 109.736 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.81 -157.0 28.84 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.708 -0.758 . . . . 1.52 112.314 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.84 -35.45 19.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.099 0.476 . . . . 2.62 110.39 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.15 169.45 21.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.477 -0.783 . . . . 1.69 109.517 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CD ' ' HZ3' ' A' ' 12' ' ' LYS . 3.6 tp10 -55.56 -40.07 71.45 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.241 0.543 . . . . 2.72 110.057 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -87.52 -27.09 22.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.433 0.635 . . . . 2.92 109.739 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.59 44.24 1.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.762 0.791 . . . . 2.81 109.234 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.62 128.17 34.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.98 -1.009 . . . . 1.59 110.286 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.82 -11.76 55.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.143 0.497 . . . . 1.94 110.097 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.68 134.33 4.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.664 -0.698 . . . . 1.25 109.61 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 126.44 12.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 1.57 110.828 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -122.12 120.44 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.475 -0.784 . . . . 1.09 109.324 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.546 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.22 145.49 38.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.005 -0.543 . . . . 1.29 111.365 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -143.54 170.15 16.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.791 -0.64 . . . . 1.16 109.978 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.53 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -152.54 154.55 35.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 4.43 110.301 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.85 103.26 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.302 -0.629 . . . . 0.92 109.302 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.6 m -71.66 -40.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 1.52 112.252 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.431 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 13.9 t70 -125.71 -81.63 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.739 -0.385 . . . . 1.74 111.307 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -134.71 -60.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.117 0.414 . . . . 3.36 112.117 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -111.79 -3.87 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.101 0.477 . . . . 2.34 110.744 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.431 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 10.8 mp0 -85.08 117.51 24.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.971 -0.559 . . . . 2.25 111.678 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.53 119.36 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 1.13 109.314 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 12.1 t30 -102.68 119.84 39.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.241 -0.436 . . . . 1.82 111.751 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.68 110.13 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.448 -0.945 . . . . 1.37 108.448 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.13 -30.74 13.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.267 0.469 . . . . 2.47 112.267 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.546 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 65.5 t60 -131.69 126.15 33.87 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.277 -0.569 . . . . 2.94 112.276 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' A' ' 78' ' ' ALA . 1.6 m -133.04 89.31 2.6 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.338 -0.986 . . . . 1.22 108.338 177.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.78 132.98 11.05 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.2 -1.0 . . . . 0.73 113.199 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.67 132.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.678 -0.86 . . . . 1.5 108.678 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.317 -0.808 0 CA-C-O 121.086 0.47 . . . . 1.94 110.927 -179.507 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 110.984 -0.847 . . . . 1.45 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.31 -30.3 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.419 -0.391 . . . . 1.74 111.209 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.33 -34.28 73.94 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.005 -0.617 . . . . 0.66 112.287 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -68.29 -41.45 80.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.207 0.527 . . . . 2.54 109.759 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -68.18 -40.09 82.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 2.91 110.244 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 60' ' ' VAL . 30.5 mt -63.25 -46.71 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.76 -0.654 . . . . 1.51 110.768 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' HG21 ' A' ' 61' ' ' VAL . 16.9 tp -63.77 -35.18 79.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.81 110.297 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.52 -43.11 97.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.413 -0.358 . . . . 1.98 110.123 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.07 79.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 1.29 110.177 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 56' ' ' LEU . 81.7 t -66.79 -45.3 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.284 -0.635 . . . . 1.18 109.284 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' HA ' HD13 ' A' ' 71' ' ' ILE . 70.6 t -59.68 -46.08 93.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.685 -0.689 . . . . 1.11 110.105 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 47.9 mt-10 -60.08 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.537 -0.756 . . . . 1.76 110.469 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.504 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.7 t60 -63.04 -36.74 84.57 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.898 -0.592 . . . . 1.26 110.756 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.18 92.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.527 . . . . 1.23 110.085 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.14 -32.45 73.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 3.8 110.817 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 65.4 mt-10 -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.078 -0.51 . . . . 1.82 111.412 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.423 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 41.0 m-80 -108.87 9.4 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.333 -0.394 . . . . 1.51 111.803 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.45 38.11 29.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.581 0.705 . . . . 2.7 110.713 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.7 mt -81.4 159.3 24.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.681 -0.69 . . . . 1.26 110.93 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.1 mptt -106.24 127.9 53.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.869 -0.789 . . . . 3.46 108.869 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 61' ' ' VAL . 51.5 mt -96.33 132.76 39.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 112.851 0.686 . . . . 1.53 112.851 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.0 pt -143.87 157.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.204 -1.406 . . . . 1.64 107.204 177.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.73 134.01 14.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.718 -0.793 . . . . 1.15 112.607 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -25.15 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.917 -0.771 . . . . 1.25 108.917 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.76 121.39 18.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.276 -0.875 . . . . 1.99 109.26 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -55.24 -38.95 69.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.296 0.48 . . . . 1.44 112.296 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.37 -55.85 24.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 1.06 111.07 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.416 ' HB3' ' OG1' ' A' ' 41' ' ' THR . . . -63.73 -42.48 97.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.261 -0.427 . . . . 1.12 111.257 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 13.1 tmtt? -60.27 -47.05 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 1.76 110.642 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -67.94 -29.78 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.303 -0.408 . . . . 1.41 111.632 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tpp -63.39 -38.08 89.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.389 -0.597 . . . . 1.91 109.389 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 92' ' ' TYR . 11.4 mt -72.78 -33.32 66.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.515 -0.766 . . . . 1.23 110.328 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.4 mt-10 -69.99 -29.2 66.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.507 0.67 . . . . 1.76 109.918 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.85 -24.01 55.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.084 -0.962 . . . . 2.69 111.149 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -111.85 97.4 6.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.223 0.535 . . . . 1.6 111.167 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.33 -29.2 70.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.455 -0.793 . . . . 2.66 110.725 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -11.89 61.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 1.7 111.68 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -95.26 2.27 54.79 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.641 0.258 . . . . 1.11 111.127 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.32 3.71 10.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.776 0.322 . . . . 2.77 111.524 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -77.96 -25.62 48.3 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.625 -0.509 . . . . 2.44 109.625 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 m -118.56 -29.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.571 -0.741 . . . . 1.51 110.134 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.536 ' CD1' HD12 ' A' ' 82' ' ' LEU . 55.2 t80 -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.638 -0.504 . . . . 1.51 109.638 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 121.043 0.449 . . . . 2.03 110.738 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.694 -0.484 . . . . 2.91 109.694 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mt -75.2 96.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.182 0.515 . . . . 1.46 110.156 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -80.72 124.26 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.617 -0.719 . . . . 2.65 110.129 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.17 143.2 39.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.232 0.539 . . . . 2.52 110.753 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.39 -168.46 12.17 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.631 -0.713 . . . . 1.41 111.337 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -65.8 94.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.841 0.353 . . . . 3.19 111.087 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.41 33.49 22.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.53 -0.759 . . . . 1.87 110.6 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 38.6 pttt -159.72 -179.41 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.53 111.44 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -135.89 141.28 44.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.427 -0.953 . . . . 0.81 108.427 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -152.02 163.04 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.274 0.559 . . . . 1.27 111.679 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.3 mt -131.53 126.76 58.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.447 -0.797 . . . . 1.35 109.577 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.29 174.37 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.582 -0.818 . . . . 1.52 112.543 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.67 -58.38 7.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 2.62 110.8 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -135.19 164.15 28.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.106 -0.702 . . . . 1.69 109.106 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.16 -33.96 76.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.599 0.222 . . . . 2.72 111.599 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -68.72 -41.42 79.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.25 0.548 . . . . 2.92 109.768 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.74 35.94 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 2.81 110.053 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.25 132.43 49.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 1.59 111.159 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.06 -41.58 64.0 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.964 -0.754 . . . . 1.94 108.964 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.84 148.01 20.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.174 -0.921 . . . . 1.25 110.416 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -150.57 149.36 29.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.02 0.438 . . . . 1.57 110.686 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 15.1 tt -135.82 127.01 44.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.075 -0.713 . . . . 1.09 109.075 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.9 p -108.98 142.73 39.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.722 0.296 . . . . 1.29 111.462 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.4 p90 -135.12 150.98 50.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.887 -0.412 . . . . 1.16 109.887 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -139.79 156.2 46.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.915 0.388 . . . . 4.43 110.577 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -88.73 106.27 18.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.115 -0.493 . . . . 0.92 110.156 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -81.65 -24.97 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 1.52 110.644 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -136.6 -97.09 0.22 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 1.74 109.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -149.34 -49.74 0.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.39 -0.596 . . . . 3.36 109.39 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 69' ' ' LEU . 2.8 t30 -107.24 17.01 23.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 2.34 109.545 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -131.5 126.13 34.17 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.468 -0.787 . . . . 2.25 110.167 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -122.08 139.21 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 1.13 110.473 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 p-10 -111.94 142.37 44.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.208 -0.451 . . . . 1.82 111.272 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.55 105.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.755 -1.202 . . . . 1.37 107.755 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -60.06 -69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 2.47 111.614 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 10.4 p-80 -137.16 147.79 46.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.027 0.441 . . . . 2.94 111.165 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -118.93 129.86 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.545 -0.752 . . . . 1.22 109.914 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -140.32 104.09 0.39 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.448 -0.882 . . . . 0.73 111.821 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 44' ' ' SER . 5.2 t -117.7 159.46 17.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 110.275 -0.268 . . . . 1.5 110.275 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.407 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.94 110.977 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.63 0 N-CA-C 112.189 -0.364 . . . . 1.45 112.189 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.39 -49.85 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.919 0.39 . . . . 1.74 111.438 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.34 99.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.66 112.755 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -68.71 -28.37 66.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 2.54 110.077 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.79 -39.75 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 2.91 110.262 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.889 -0.596 . . . . 1.51 110.185 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.52 -37.7 84.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 1.81 109.813 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.64 -41.5 97.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.33 -0.85 . . . . 1.98 110.751 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.96 90.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.46 . . . . 1.29 111.345 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.7 t -61.75 -47.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 1.18 110.672 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 58.6 t -66.7 -34.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 1.11 111.064 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -57.2 -53.48 57.64 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.946 0.403 . . . . 1.76 110.119 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.498 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 27.3 t60 -65.23 -28.95 69.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.981 -0.554 . . . . 1.26 109.994 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.58 -28.15 66.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.681 -0.691 . . . . 1.23 110.605 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 30.8 mmt180 -76.39 -32.54 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 3.8 110.109 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 41.5 mt-10 -66.99 -51.47 54.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.645 -0.707 . . . . 1.82 111.375 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 4.5 m120 -92.47 -10.7 36.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.509 . . . . 1.51 112.18 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 60.67 63.62 1.3 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.187 0.518 . . . . 2.7 109.869 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 mt -105.02 165.72 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.629 -0.714 . . . . 1.26 111.282 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -90.09 133.68 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.205 -0.665 . . . . 3.46 109.205 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 48.3 mm -109.6 122.16 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.966 0.413 . . . . 1.53 111.753 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -132.53 146.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.379 -0.971 . . . . 1.64 108.379 177.379 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.64 54.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.952 0.406 . . . . 1.15 111.87 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -84.88 -35.69 22.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.844 -0.616 . . . . 1.25 109.58 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -74.64 130.86 40.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.451 -0.795 . . . . 1.99 110.062 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.8 m -60.29 -35.82 76.44 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.777 0.288 . . . . 1.44 111.777 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' MET . 12.0 t80 -63.22 -57.25 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.627 -0.261 . . . . 1.06 110.586 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.53 79.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.425 . . . . 1.12 110.861 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.528 ' HZ3' ' HH ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.82 -0.627 . . . . 1.76 110.134 179.251 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -74.61 -26.75 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 1.41 111.163 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 91.7 mtp -63.22 -47.34 82.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 1.91 110.129 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.25 -30.8 63.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.346 0.593 . . . . 1.23 109.969 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.39 -22.73 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.141 -0.936 . . . . 1.76 110.898 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.36 -15.48 56.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 2.69 111.764 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -120.08 119.25 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.076 -0.39 . . . . 1.6 111.659 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 2.66 110.289 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 m -62.54 -36.15 81.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.643 -0.708 . . . . 1.7 110.933 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 6.2 m-30 -72.8 -23.17 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 1.11 111.12 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.1 -7.8 19.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.364 -0.38 . . . . 2.77 111.97 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -63.66 -43.57 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.992 -0.744 . . . . 2.44 108.992 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 m -104.98 -37.03 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.126 -0.943 . . . . 1.51 110.459 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' HH ' ' HZ3' ' A' ' 79' ' ' LYS . 2.8 t80 -75.84 135.58 40.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 1.51 109.742 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.386 0.612 . . . . 2.03 111.156 -178.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.912 -0.403 . . . . 2.91 109.912 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -75.04 95.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.194 0.521 . . . . 1.46 110.257 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.616 ' HZ1' ' HH ' ' A' ' 14' ' ' TYR . 6.1 mmmm -87.04 130.52 34.44 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.726 -0.67 . . . . 2.65 110.226 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -108.84 144.79 36.25 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.16 0.505 . . . . 2.52 110.201 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.81 -155.04 8.29 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.21 -0.756 . . . . 1.41 111.21 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.33 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.323 -0.251 . . . . 3.19 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.455 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 42.7 m-80 53.44 42.46 31.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.621 -0.718 . . . . 1.87 109.888 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -150.15 164.13 36.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 1.53 111.312 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -131.51 137.15 48.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.97 -1.122 . . . . 0.81 107.97 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.616 ' HH ' ' HZ1' ' A' ' 7' ' ' LYS . 5.1 p90 -156.41 156.44 33.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.283 0.563 . . . . 1.27 111.86 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -136.27 124.95 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.183 -0.917 . . . . 1.35 108.902 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.8 173.85 46.37 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.366 -0.921 . . . . 1.52 112.468 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.58 -33.66 74.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 2.62 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -149.37 170.49 18.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.614 -0.721 . . . . 1.69 109.195 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.36 -40.97 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 2.72 110.237 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -85.0 -19.79 31.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 2.92 110.239 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.42 41.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.763 -0.653 . . . . 2.81 109.926 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.24 111.52 8.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.743 -0.662 . . . . 1.59 110.548 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.57 -32.67 64.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.442 0.639 . . . . 1.94 109.317 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.59 129.75 18.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.06 -0.973 . . . . 1.25 109.195 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.79 131.08 19.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.968 0.414 . . . . 1.57 111.023 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -128.11 119.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.648 -0.705 . . . . 1.09 109.286 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.48 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.62 144.98 40.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 1.29 111.304 -179.285 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -143.72 175.83 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.778 -0.647 . . . . 1.16 109.842 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -160.61 151.7 18.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.76 0.314 . . . . 4.43 110.94 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -82.89 104.38 13.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.63 -0.878 . . . . 0.92 108.63 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.57 -16.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.565 0.58 . . . . 1.52 112.565 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -139.47 -90.63 0.19 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.826 -0.35 . . . . 1.74 110.842 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -128.74 -60.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.276 -0.265 . . . . 3.36 111.191 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -115.95 -3.61 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 2.34 110.543 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -84.55 120.61 26.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.633 -0.712 . . . . 2.25 111.16 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 pt -109.49 117.86 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 1.13 109.856 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 22.6 t30 -94.13 122.87 37.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 1.82 111.587 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.7 mt -100.75 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.676 -0.861 . . . . 1.37 108.676 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.467 ' C ' ' HB2' ' A' ' 75' ' ' CYS . 14.6 t70 -114.63 -18.98 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.132 0.419 . . . . 2.47 112.132 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 38.8 t60 -121.65 127.47 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.51 . . . . 2.94 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.03 109.88 4.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.577 -0.738 . . . . 1.22 109.857 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.42 133.39 10.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.8 -0.714 . . . . 0.73 111.865 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 123.84 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.337 -0.246 . . . . 1.5 110.337 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 109.649 -0.5 . . . . 1.94 109.649 179.123 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.289 -0.324 . . . . 1.45 112.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.02 -43.84 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 1.74 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.69 88.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.85 -0.691 . . . . 0.66 111.74 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -71.32 -34.22 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 2.54 110.368 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -61.06 -42.41 98.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.841 -0.618 . . . . 2.91 110.237 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt -69.11 -44.11 73.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.566 . . . . 1.51 110.65 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.9 tp -61.02 -42.14 97.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 1.81 110.125 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.89 -41.45 96.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 1.98 110.216 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.89 97.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 1.29 110.605 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.47 -47.78 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.18 109.999 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.66 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.589 . . . . 1.11 110.742 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.3 mt-10 -62.56 -45.79 91.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.099 -0.5 . . . . 1.76 110.841 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.1 t60 -65.33 -33.59 76.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 1.26 110.372 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.72 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 1.23 109.663 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -62.68 -34.51 77.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 3.8 110.173 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 57.9 mt-10 -63.97 -34.7 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 1.82 112.0 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -114.52 11.38 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.771 0.656 . . . . 1.51 112.771 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 t30 58.72 43.99 17.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.409 0.623 . . . . 2.7 111.028 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -89.26 158.54 17.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 1.26 110.347 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.3 mptt -111.25 125.79 54.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.661 . . . . 3.46 109.217 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.7 mt -97.9 129.13 48.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.285 0.564 . . . . 1.53 112.439 -178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -127.83 122.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.966 -1.124 . . . . 1.64 107.966 177.191 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.52 109.38 19.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.226 0.454 . . . . 1.15 112.226 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -91.49 -20.3 21.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.848 -0.797 . . . . 1.25 108.848 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.467 ' HB2' ' C ' ' A' ' 39' ' ' ASP . 5.6 t -62.29 132.67 53.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.147 -0.933 . . . . 1.99 110.096 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -35.68 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.38 0.425 . . . . 1.44 111.995 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -80.64 -54.99 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.279 . . . . 1.06 111.132 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.11 -38.11 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 1.12 111.847 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.18 -52.38 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 1.76 110.315 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.69 -32.2 73.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.294 -0.412 . . . . 1.41 110.989 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 64.3 mmm -62.23 -57.44 11.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 1.91 111.011 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.447 HD13 ' CD1' ' A' ' 92' ' ' TYR . 4.8 mt -71.46 -16.82 62.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.952 -0.567 . . . . 1.23 110.811 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.49 -36.18 65.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.719 . . . . 1.76 109.23 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -82.19 -44.59 16.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.235 -0.893 . . . . 2.69 109.572 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 90.0 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.725 -0.67 . . . . 1.6 111.237 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.86 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.461 -0.791 . . . . 2.66 110.825 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -22.43 66.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.818 -0.628 . . . . 1.7 111.825 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -92.25 -5.44 52.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.666 0.269 . . . . 1.11 111.197 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -80.08 17.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.102 0.477 . . . . 2.77 111.613 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.72 -32.04 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.696 -0.853 . . . . 2.44 108.696 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.96 -20.09 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.54 -0.754 . . . . 1.51 109.849 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CD1' HD13 ' A' ' 82' ' ' LEU . 41.8 t80 -87.94 135.76 33.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 1.51 109.617 178.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.253 0.549 . . . . 2.03 110.918 -179.886 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.767 0.317 . . . . 2.91 110.79 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.79 101.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.902 -0.59 . . . . 1.46 109.707 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -86.73 119.99 27.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.939 -0.393 . . . . 2.65 109.939 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.8 150.42 47.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 2.52 110.925 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.97 17.7 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.324 -0.853 . . . . 1.41 111.112 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -67.47 96.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.9 0.381 . . . . 3.19 110.761 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 32.34 20.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 1.87 111.0 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -161.96 173.74 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.363 0.602 . . . . 1.53 111.946 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -133.04 130.49 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.98 -1.009 . . . . 0.81 108.34 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -137.18 159.85 40.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.393 0.616 . . . . 1.27 111.76 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -130.98 120.93 48.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.358 -0.837 . . . . 1.35 109.713 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.57 176.9 28.26 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.664 -0.575 . . . . 1.52 111.664 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.07 -57.85 6.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.894 0.378 . . . . 2.62 110.632 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -135.57 166.31 23.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.754 -0.657 . . . . 1.69 109.66 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.67 -23.95 65.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 2.72 110.49 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.52 -22.23 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.347 0.594 . . . . 2.92 109.907 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -137.11 63.39 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.682 -0.69 . . . . 2.81 109.793 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 144.98 25.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 1.59 110.418 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.9 mt -87.48 -22.96 24.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 1.94 110.135 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -169.71 145.7 3.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.775 -0.648 . . . . 1.25 111.085 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.13 137.32 12.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.18 0.514 . . . . 1.57 110.635 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 tt -122.85 132.33 71.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.645 -0.707 . . . . 1.09 109.479 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -113.58 141.76 46.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.727 0.299 . . . . 1.29 110.988 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -133.42 149.44 51.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.55 -0.537 . . . . 1.16 109.55 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -136.48 159.67 41.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.927 0.394 . . . . 4.43 110.749 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -97.31 109.2 22.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.005 -0.543 . . . . 0.92 110.322 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.87 -32.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.945 0.402 . . . . 1.52 111.176 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -135.69 -84.04 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 1.74 110.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -152.51 -57.64 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.137 0.494 . . . . 3.36 110.521 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.97 17.26 23.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 2.34 110.361 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -127.77 126.39 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.514 . . . . 2.25 109.807 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.3 pt -120.56 135.09 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.186 0.517 . . . . 1.13 110.462 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 p-10 -113.34 140.79 47.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 1.82 110.598 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -83.64 113.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 1.37 109.534 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.37 -56.73 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 2.47 110.398 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.661 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 8.1 p-80 -156.59 160.31 39.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 2.94 111.496 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -134.33 96.82 3.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.426 -0.806 . . . . 1.22 109.458 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -103.25 116.17 5.37 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.624 -0.798 . . . . 0.73 112.707 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.9 t -126.87 136.85 59.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.151 -0.314 . . . . 1.5 110.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.679 0.752 . . . . 1.94 109.668 178.6 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.219 0 N-CA-C 112.672 -0.171 . . . . 1.45 112.672 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.81 -25.63 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.888 0.329 . . . . 1.74 111.888 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.11 96.57 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.895 -0.669 . . . . 0.66 111.782 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -75.74 -36.89 59.78 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.93 0.395 . . . . 2.54 110.05 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.91 -44.8 95.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.697 -0.683 . . . . 2.91 111.174 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.09 -44.25 80.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 1.51 111.405 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD21 ' SD ' ' A' ' 81' ' ' MET . 34.8 tp -62.61 -37.48 86.42 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.693 -0.484 . . . . 1.81 109.693 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.63 -36.31 83.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.784 -0.644 . . . . 1.98 110.669 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.15 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.54 . . . . 1.29 110.311 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.89 -47.87 66.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.621 -0.718 . . . . 1.18 110.528 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.24 -42.82 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 1.11 111.473 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.0 tt0 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.76 110.11 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.41 -33.14 74.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.06 -0.518 . . . . 1.26 109.679 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.42 -35.93 78.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.594 -0.73 . . . . 1.23 110.097 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -66.56 -41.14 89.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.585 -0.524 . . . . 3.8 109.585 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 35.2 mt-10 -60.93 -55.77 29.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.924 -0.58 . . . . 1.82 111.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.02 -1.67 53.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 1.51 112.443 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 59.44 39.75 21.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.048 0.451 . . . . 2.7 110.638 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.53 159.99 21.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.152 -0.476 . . . . 1.26 111.047 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -91.98 138.86 31.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.009 -0.738 . . . . 3.46 109.009 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.401 HG23 HD12 ' A' ' 71' ' ' ILE . 30.5 mm -107.61 130.14 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.548 . . . . 1.53 112.358 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -143.31 158.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.034 -1.098 . . . . 1.64 108.034 177.381 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.34 35.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.958 -0.464 . . . . 1.15 111.936 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 m -85.55 -40.26 16.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 1.25 110.16 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 85.0 m -74.35 129.83 38.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.524 . . . . 1.99 110.972 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -32.86 69.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.062 -0.517 . . . . 1.44 111.224 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.83 -59.67 5.01 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.726 0.298 . . . . 1.06 110.447 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.89 85.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 1.12 110.759 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HZ1' ' HH ' ' A' ' 92' ' ' TYR . 34.5 tttm -61.74 -50.17 73.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 1.76 110.107 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -63.19 -31.57 72.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 1.41 110.04 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.413 ' SD ' HD21 ' A' ' 57' ' ' LEU . 25.9 ttt -66.36 -41.81 88.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.91 110.071 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.61 -31.38 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.742 -0.663 . . . . 1.23 110.417 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 41.8 mt-10 -78.71 -31.74 46.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 1.76 110.812 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -73.64 -48.04 35.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 2.69 110.087 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.52 92.32 8.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.174 -0.676 . . . . 1.6 109.174 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.56 -9.64 4.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.579 -0.737 . . . . 2.66 112.09 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.89 -22.27 66.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.792 0.33 . . . . 1.7 110.973 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -99.85 0.59 41.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.683 0.278 . . . . 1.11 110.715 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.21 -15.92 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 2.77 111.882 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -67.77 -37.45 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 2.44 110.579 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.11 -26.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 1.51 111.269 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.448 ' HH ' ' HZ1' ' A' ' 79' ' ' LYS . 72.9 t80 -76.01 147.06 39.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.678 -0.49 . . . . 1.51 109.678 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 2.03 110.793 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 121.055 0.455 . . . . 2.91 111.63 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.1 mt -80.39 99.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 1.46 109.804 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -89.19 138.66 31.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 2.65 109.627 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -112.49 135.5 53.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.039 0.447 . . . . 2.52 110.267 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.4 151.42 12.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.843 -0.617 . . . . 1.41 111.729 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 41.99 43.46 2.69 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.047 0.939 . . . . 3.19 112.75 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 54.3 m-80 58.55 47.28 13.58 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.303 0.573 . . . . 1.87 110.486 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -154.1 132.76 12.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.609 -0.723 . . . . 1.53 111.302 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -103.33 118.71 37.38 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.81 107.512 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -134.26 146.05 49.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.308 0.575 . . . . 1.27 112.26 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.7 mt -110.63 119.64 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.115 -0.948 . . . . 1.35 109.423 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.49 165.79 26.47 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.675 -0.774 . . . . 1.52 112.093 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -75.65 -32.27 60.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 2.62 110.548 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 1.2 t70 -136.89 151.65 49.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.69 110.266 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.7 -48.47 66.58 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.536 0.569 . . . . 2.72 112.536 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.01 -26.08 60.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.288 0.566 . . . . 2.92 110.559 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 22.9 m-80 -94.73 29.98 2.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.624 -0.716 . . . . 2.81 110.78 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.1 115.82 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.001 -0.545 . . . . 1.59 110.163 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.079 -0.51 . . . . 1.94 109.945 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -152.03 136.14 16.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.902 -0.59 . . . . 1.25 110.185 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -147.47 145.61 29.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.194 0.521 . . . . 1.57 111.275 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -130.05 131.4 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.46 -0.941 . . . . 1.09 108.46 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.0 p -112.71 140.92 47.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.794 0.33 . . . . 1.29 111.695 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.466 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 39.6 p90 -145.18 147.39 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 1.16 109.719 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 29' ' ' ARG . 48.3 mtm180 -129.12 144.28 51.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.716 0.293 . . . . 4.43 111.042 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.837 -0.62 . . . . 0.92 109.419 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -79.32 -31.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.916 -0.584 . . . . 1.52 111.915 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -148.11 47.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 1.74 111.283 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.7 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.228 0.611 . . . . 3.36 112.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 5.5 m120 -82.22 28.59 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.122 0.487 . . . . 2.34 111.253 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -151.87 120.24 6.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.646 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 pt -116.33 134.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.24 0.543 . . . . 1.13 111.005 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.3 t30 -103.95 120.39 40.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.618 -0.719 . . . . 1.82 110.53 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.414 HG22 ' SG ' ' A' ' 75' ' ' CYS . 94.3 mt -81.01 119.63 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.293 -0.632 . . . . 1.37 109.293 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.55 -63.8 1.26 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.581 -0.736 . . . . 2.47 111.867 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -144.66 165.85 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 2.94 112.176 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -137.98 107.09 6.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.977 -1.01 . . . . 1.22 109.077 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.62 123.34 6.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.73 112.236 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.59 133.69 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.655 0.264 . . . . 1.5 110.491 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 1.94 110.241 179.254 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 CA-C-O 120.446 -0.086 . . . . 1.45 113.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.4 t -69.88 -38.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 1.74 110.043 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.89 -28.82 73.28 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.66 112.097 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -66.55 -37.49 85.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.028 -0.36 . . . . 2.54 110.028 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.42 -40.66 81.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.119 0.485 . . . . 2.91 110.193 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.07 -49.99 72.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 1.51 110.662 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 tp -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 1.81 110.329 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -47.67 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.98 109.876 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.0 96.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 1.29 110.575 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.41 -52.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.951 -0.568 . . . . 1.18 110.843 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.422 HG12 ' CD1' ' A' ' 88' ' ' TYR . 69.2 t -61.36 -45.19 99.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.204 -0.453 . . . . 1.11 110.746 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 30.0 tt0 -58.46 -52.57 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.818 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.35 -40.72 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 1.26 110.8 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.34 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 1.23 110.803 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -61.03 -36.83 80.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.336 -0.393 . . . . 3.8 111.171 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.7 mt-10 -65.53 -29.11 69.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 1.82 111.513 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -107.46 13.1 27.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 1.51 111.619 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 55.48 38.17 29.88 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.381 0.61 . . . . 2.7 111.238 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 34' ' ' ASN . 31.6 mt -92.0 143.57 26.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.015 -0.539 . . . . 1.26 109.911 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' HB3' HD21 ' A' ' 93' ' ' LEU . 26.4 mtmt -94.18 146.59 23.89 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.19 -0.67 . . . . 3.46 109.19 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -116.24 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 112.85 0.685 . . . . 1.53 112.85 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.2 pt -126.63 104.81 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.959 -1.019 . . . . 1.64 109.035 177.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.23 39.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.811 0.339 . . . . 1.15 111.594 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 m -87.26 -21.07 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.215 0.531 . . . . 1.25 110.13 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.414 ' SG ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -79.04 127.5 32.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 1.99 109.682 179.297 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.71 -38.28 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 1.44 111.815 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.14 -55.78 16.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 1.06 111.158 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 1.12 111.311 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -62.47 -41.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.76 110.225 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.64 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 1.41 110.542 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 84.1 mtp -68.99 -37.99 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 1.91 110.298 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.759 -0.655 . . . . 1.23 111.621 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -76.63 -26.34 54.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.46 -0.336 . . . . 1.76 111.239 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -69.17 -34.29 74.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 2.69 111.247 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -96.45 119.33 34.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.052 0.454 . . . . 1.6 111.004 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.76 -37.87 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.565 -0.743 . . . . 2.66 111.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -69.7 -25.53 63.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.142 -0.481 . . . . 1.7 111.75 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CD1' HG12 ' A' ' 61' ' ' VAL . 11.9 m-30 -84.92 -18.11 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.42 . . . . 1.11 110.498 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.31 -10.14 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 2.77 111.332 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.63 -41.23 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 2.44 110.504 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.47 -25.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 1.51 110.936 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -76.16 130.32 38.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.51 110.359 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 70' ' ' LYS . 1.8 pt? . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.102 -0.499 . . . . 2.03 110.355 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.751 0.31 . . . . 7.34 110.266 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -69.99 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.276 -0.42 . . . . 6.89 110.434 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.91 150.14 16.86 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.51 -0.552 . . . . 3.91 109.51 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mp -84.93 59.99 5.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.266 0.555 . . . . 2.76 110.43 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -94.1 142.87 26.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.564 -0.744 . . . . 2.91 109.852 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.82 103.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 1.46 110.573 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.9 mmmm -86.87 135.34 33.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.825 -0.625 . . . . 2.65 109.705 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.0 138.42 38.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.234 0.54 . . . . 2.52 110.296 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.93 -160.35 10.26 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 110.871 -0.892 . . . . 1.41 110.871 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.18 89.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.188 -0.301 . . . . 3.19 110.188 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 52.64 44.99 29.5 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.541 -0.754 . . . . 1.87 110.143 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.1 pttt -155.1 166.54 33.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 1.53 111.258 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -128.77 135.9 49.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.835 -0.802 . . . . 0.81 108.835 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 12.2 p90 -150.93 155.28 38.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.126 0.489 . . . . 1.27 111.0 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 131.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 1.35 109.287 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.68 -160.6 31.73 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.489 -0.862 . . . . 1.52 112.532 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.15 -38.46 16.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 2.62 110.433 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -150.06 168.46 23.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.451 -0.795 . . . . 1.69 109.149 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.87 -42.74 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 2.72 110.459 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -78.4 -38.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.765 -0.652 . . . . 2.92 110.649 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.37 44.38 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.742 -0.663 . . . . 2.81 110.689 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.68 41.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.402 -0.817 . . . . 1.59 110.066 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -83.88 -38.46 21.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.211 0.529 . . . . 1.94 109.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.37 127.47 17.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.755 . . . . 1.25 109.651 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -135.31 130.61 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.978 0.418 . . . . 1.57 111.402 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.34 128.55 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 1.09 109.272 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 p -116.77 148.08 41.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 1.29 111.628 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -140.37 164.45 30.09 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.199 -0.667 . . . . 1.16 109.199 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.24 149.56 29.55 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 4.43 111.036 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -84.64 104.48 14.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.698 -0.683 . . . . 0.92 109.595 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 m -76.96 -41.13 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.144 -0.48 . . . . 1.52 112.235 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -123.02 -85.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.886 -0.326 . . . . 1.74 111.819 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -130.66 -56.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.377 0.51 . . . . 3.36 112.377 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.54 10.82 9.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.867 0.365 . . . . 2.34 111.237 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.87 124.58 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 2.25 110.85 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -108.23 122.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.521 -0.763 . . . . 1.13 109.921 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.497 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 38.7 t30 -99.61 128.56 45.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.157 -0.474 . . . . 1.82 111.559 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.2 mt -105.92 108.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.154 -0.684 . . . . 1.37 109.154 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.71 -35.79 5.65 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.947 -0.301 . . . . 2.47 111.751 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.497 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 44.7 t60 -106.73 127.07 53.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.496 0.665 . . . . 2.94 111.623 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 ' CB ' ' HG ' ' A' ' 75' ' ' CYS . 1.4 m -149.79 110.06 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.286 -0.87 . . . . 1.22 109.16 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.41 133.6 7.43 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.018 -1.086 . . . . 0.73 112.714 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.34 146.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.928 -0.767 . . . . 1.5 108.928 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -72.03 120.71 18.01 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.948 -0.301 . . . . 1.94 110.226 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.79 -37.08 76.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.464 0.65 . . . . 3.12 109.434 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -84.98 60.72 6.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.259 -0.882 . . . . 3.8 109.937 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.7 tp -127.91 -68.33 0.78 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.662 -0.699 . . . . 4.97 110.493 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.42 -58.47 0.7 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.707 -0.759 . . . . 3.87 111.3 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' ' 52' ' ' VAL . . . -89.19 77.18 1.75 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.216 -0.754 . . . . 3.78 111.216 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -75.24 2.24 11.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.727 0.299 . . . . 3.86 111.688 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.64 -10.12 63.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.274 -0.488 . . . . 1.45 112.389 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 49' ' ' GLY . 39.6 t -58.89 -33.96 51.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.406 . . . . 1.74 110.8 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.96 -32.47 80.12 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.836 -0.62 . . . . 0.66 112.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -66.51 -42.87 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.938 0.399 . . . . 2.54 110.119 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.74 -40.68 88.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.811 -0.631 . . . . 2.91 111.033 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.68 -50.46 73.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.837 0.351 . . . . 1.51 110.468 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 61' ' ' VAL . 23.2 tp -63.72 -41.72 98.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.81 110.508 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' HB2' ' HH ' ' A' ' 88' ' ' TYR . 14.7 ttpp -58.95 -44.43 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 1.98 110.909 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.12 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.0 -47.57 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 1.18 110.002 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 57' ' ' LEU . 85.2 t -61.81 -44.83 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 1.11 111.031 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -58.78 -48.54 80.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.997 -0.547 . . . . 1.76 110.892 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.422 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 14.7 t60 -68.71 -31.05 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.555 . . . . 1.26 111.038 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.4 -44.48 87.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 1.23 110.479 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.574 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 8.4 tpt180 -62.74 -34.79 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.365 -0.38 . . . . 3.8 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.0 mt-10 -63.23 -47.83 80.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.82 111.79 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -95.02 11.24 32.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.182 0.438 . . . . 1.51 112.182 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.2 t30 59.29 37.79 23.45 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.401 0.62 . . . . 2.7 111.369 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.4 mt -82.51 158.01 23.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 1.26 110.644 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -107.2 131.32 54.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.895 -0.78 . . . . 3.46 108.895 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mt -103.12 128.61 55.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 1.53 112.355 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.3 pt -134.46 143.67 37.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.436 -1.256 . . . . 1.64 107.754 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.41 125.4 24.31 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.655 -0.818 . . . . 1.15 112.992 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -88.44 -19.1 26.97 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.727 -1.212 . . . . 1.25 107.727 176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 77' ' ' PHE . 34.8 t -70.16 115.99 10.0 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.395 -1.275 . . . . 1.99 110.4 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -59.49 -27.65 66.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.427 -0.352 . . . . 1.44 111.089 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.461 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . 74.7 t80 -74.01 -59.61 2.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 1.06 110.915 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.39 79.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 1.12 111.377 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 60.7 tttm -59.84 -46.57 88.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 1.76 110.353 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 64.7 t60 -64.66 -31.33 72.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.257 -0.429 . . . . 1.41 111.068 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 49.1 mtp -67.37 -37.09 82.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 1.91 109.623 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.77 -32.51 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.452 -0.794 . . . . 1.23 109.997 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 78.8 mt-10 -66.61 -36.53 82.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.406 0.622 . . . . 1.76 109.811 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -70.34 -50.18 41.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.123 -0.944 . . . . 2.69 111.038 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.51 94.75 9.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.173 -0.467 . . . . 1.6 110.78 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.56 -26.36 66.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 2.66 110.618 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.27 68.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 1.7 111.661 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.448 ' HH ' ' HB2' ' A' ' 58' ' ' LYS . 16.9 m-30 -90.56 -6.16 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 1.11 111.177 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -82.24 32.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.246 0.546 . . . . 2.77 111.22 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.574 ' OD2' ' HD3' ' A' ' 65' ' ' ARG . 13.9 p-10 -106.0 -42.91 4.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.9 -0.778 . . . . 2.44 108.9 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 m -98.88 -21.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.409 0.623 . . . . 1.51 109.603 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -85.14 136.1 33.69 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.4 -0.818 . . . . 1.51 109.17 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 69.5 mt -76.41 58.58 1.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.266 0.555 . . . . 2.03 111.514 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.38 -15.93 63.3 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 110.495 -1.042 . . . . 3.64 110.495 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -95.17 83.11 3.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.882 -0.659 . . . . 6.92 109.528 178.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.89 -54.02 4.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.361 -0.381 . . . . 5.15 110.862 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -179.77 -32.65 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.367 0.506 . . . . 6.33 112.367 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -99.73 -34.66 10.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.301 0.482 . . . . 6.29 112.301 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 95' ' ' LEU . 1.4 m80 58.36 -171.47 0.11 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.12 0.486 . . . . 11.12 112.217 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 t60 59.78 -92.85 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.405 -0.816 . . . . 10.85 111.61 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -177.16 -53.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.999 -0.741 . . . . 9.84 108.999 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.242 0.707 0 CA-C-O 118.668 -0.682 . . . . 13.34 109.734 178.822 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.454 ' O9P' ' CEP' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 mtt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.181 -0.303 . . . . 7.34 110.181 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -85.8 80.1 9.06 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.466 -0.568 . . . . 6.89 109.466 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -114.37 175.96 5.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.772 -0.649 . . . . 3.91 110.553 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 mp 59.15 41.59 20.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.124 0.488 . . . . 2.76 110.206 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -80.76 175.99 10.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.694 -0.685 . . . . 2.91 110.523 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -80.09 98.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.029 -0.532 . . . . 1.46 109.816 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -87.87 114.39 24.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.129 -0.487 . . . . 2.65 110.068 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -75.57 142.53 42.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 2.52 111.598 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.6 -168.07 12.05 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.476 -1.049 . . . . 1.41 110.476 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.48 95.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.331 0.566 . . . . 3.19 110.475 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.71 39.76 23.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.971 -0.558 . . . . 1.87 110.39 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 62.6 pttt -163.48 177.05 9.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.217 0.532 . . . . 1.53 112.099 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -138.11 137.11 37.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.861 -1.163 . . . . 0.81 107.861 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -144.08 156.13 44.24 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.4 -0.52 . . . . 1.27 111.416 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.94 118.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 1.35 109.756 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.42 174.39 28.07 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 111.355 -0.698 . . . . 1.52 111.355 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -70.91 -55.26 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.925 0.393 . . . . 2.62 110.813 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -125.63 156.45 39.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.933 -0.576 . . . . 1.69 109.458 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.87 -33.54 70.6 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.042 0.214 . . . . 2.72 111.399 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.97 -16.42 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.244 0.545 . . . . 2.92 110.94 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -125.4 36.55 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 2.81 110.102 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 113.63 13.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.573 -0.74 . . . . 1.59 110.725 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.55 -38.6 81.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.94 109.665 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -144.78 137.87 26.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.065 -0.97 . . . . 1.25 109.988 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -143.69 130.08 19.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.874 0.369 . . . . 1.57 110.967 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -122.54 140.1 47.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.129 -0.693 . . . . 1.09 109.129 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.79 148.12 45.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.77 -0.196 . . . . 1.29 110.996 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -140.34 139.49 35.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.804 -0.443 . . . . 1.16 109.804 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.27 158.43 41.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.511 -0.313 . . . . 4.43 110.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -92.87 109.4 20.83 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.381 -0.372 . . . . 0.92 110.309 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.22 -35.86 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.045 0.45 . . . . 1.52 110.449 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.3 -80.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.74 110.2 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -161.93 -50.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 3.36 110.387 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -101.61 13.79 33.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.488 0.661 . . . . 2.34 110.079 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.09 130.92 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 2.25 110.412 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 pt -121.74 130.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 1.13 110.704 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.3 p-10 -106.88 139.65 40.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.878 -0.601 . . . . 1.82 110.505 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.42 113.69 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.781 -0.645 . . . . 1.37 109.478 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.18 -72.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.424 -0.807 . . . . 2.47 110.707 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -139.17 155.29 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 2.94 110.954 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -134.45 93.18 3.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.794 -0.639 . . . . 1.22 109.877 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.79 97.44 1.78 Allowed Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.399 -0.905 . . . . 0.73 112.254 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -108.52 162.96 6.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.536 -0.542 . . . . 1.5 109.536 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.26 134.97 57.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.056 0.455 . . . . 1.94 111.024 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -19.0 65.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.685 . . . . 3.12 110.977 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.98 44.72 0.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.697 -0.683 . . . . 3.8 110.991 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.9 mt 56.23 37.53 28.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.998 -0.546 . . . . 4.97 111.305 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.41 -9.44 68.43 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.774 -0.727 . . . . 3.87 112.336 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.13 7.33 71.75 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.868 -0.682 . . . . 3.78 112.706 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -86.51 -20.36 28.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.948 0.404 . . . . 3.86 110.081 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.67 -54.38 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.004 -0.617 . . . . 1.45 112.314 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.93 -49.44 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.121 0.486 . . . . 1.74 110.872 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.38 -38.36 94.87 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.913 -0.66 . . . . 0.66 112.562 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HE3' ' SD ' ' A' ' 81' ' ' MET . 20.4 mtpt -65.03 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.644 0.259 . . . . 2.54 110.598 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.68 -43.58 98.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 2.91 110.66 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.47 -42.05 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 1.51 110.472 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 61' ' ' VAL . 1.3 mt -64.22 -37.82 88.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.81 110.048 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.86 78.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.873 -0.603 . . . . 1.98 110.468 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.32 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 1.29 110.632 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.8 t -69.5 -43.74 80.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.77 -0.65 . . . . 1.18 109.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.7 t -62.98 -35.86 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 1.11 109.94 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.1 tp10 -62.84 -47.39 83.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.057 -0.52 . . . . 1.76 109.882 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -64.76 -33.5 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 1.26 109.772 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.26 83.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.651 -0.704 . . . . 1.23 109.948 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.3 mtt-85 -75.62 -32.53 60.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 3.8 110.302 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 58.2 mt-10 -63.46 -47.05 83.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 1.82 111.946 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.473 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 6.6 m120 -103.44 2.51 33.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.006 0.373 . . . . 1.51 112.006 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 61.12 46.36 8.22 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.109 0.48 . . . . 2.7 111.111 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -89.27 159.48 17.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.725 -0.67 . . . . 1.26 111.261 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -93.2 134.53 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.101 -0.703 . . . . 3.46 109.101 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 mm -102.0 124.95 56.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.229 0.538 . . . . 1.53 111.757 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -135.89 149.44 27.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.086 -1.079 . . . . 1.64 108.086 177.292 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.71 138.7 52.87 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.506 -0.477 . . . . 1.15 112.147 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -95.35 -30.06 14.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.783 -0.644 . . . . 1.25 110.031 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 151.55 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 1.99 111.121 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -54.22 29.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 1.44 111.959 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -56.53 -49.82 73.65 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.917 0.34 . . . . 1.06 111.917 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.46 -49.5 72.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 1.12 110.633 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.605 ' HZ2' ' HH ' ' A' ' 92' ' ' TYR . 32.1 tttm -63.63 -44.82 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 1.76 110.699 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.463 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 35.6 t60 -58.69 -37.37 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 1.41 111.533 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.502 ' SD ' ' HE3' ' A' ' 54' ' ' LYS . 42.4 tpp -65.65 -42.57 91.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 1.91 109.915 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -66.06 -30.26 70.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.375 -0.829 . . . . 1.23 110.931 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.586 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 72.6 mt-10 -70.81 -32.32 69.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 1.76 110.556 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -84.65 -48.48 9.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.924 -0.58 . . . . 2.69 111.853 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.44 105.65 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.113 0.483 . . . . 1.6 110.867 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.825 -0.625 . . . . 2.66 111.203 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -27.7 69.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 1.7 111.296 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -81.01 -24.09 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.428 -0.351 . . . . 1.11 110.489 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.67 -10.17 49.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.331 -0.395 . . . . 2.77 110.797 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.18 -35.01 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.226 0.536 . . . . 2.44 109.846 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.8 -28.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 1.51 110.874 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.605 ' HH ' ' HZ2' ' A' ' 79' ' ' LYS . 16.6 t80 -77.72 134.01 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.51 110.329 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.8 80.57 6.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 2.03 110.082 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.61 4.17 63.69 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.755 -0.657 . . . . 3.64 112.717 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -34.48 78.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.953 0.406 . . . . 6.92 110.294 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -91.65 93.58 8.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 5.15 109.84 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -133.96 42.77 2.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.285 0.564 . . . . 6.33 110.511 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -69.6 128.5 36.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.502 -0.772 . . . . 6.29 110.329 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.1 t60 62.93 76.3 0.37 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.574 -0.739 . . . . 11.12 110.588 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -118.91 93.98 4.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.724 -0.671 . . . . 10.85 109.902 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -133.76 93.52 3.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.317 -0.401 . . . . 9.84 111.057 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.652 -0.689 . . . . 13.34 109.633 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.52 ' C5P' ' C9P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.839 0.352 . . . . 7.34 110.532 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.8 -62.4 1.13 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.199 -0.455 . . . . 6.89 110.049 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.428 ' OD1' ' HG2' ' A' ' 5' ' ' GLU . 12.8 t-20 -169.46 147.06 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.601 -0.727 . . . . 3.91 109.445 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.55 70.14 8.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.074 0.464 . . . . 2.76 110.121 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' O ' HG12 ' A' ' 15' ' ' ILE . 5.7 mm-40 -110.35 142.52 41.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.67 -0.696 . . . . 2.91 110.941 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.69 96.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 1.46 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.876 ' HZ2' ' HH ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -91.86 125.13 36.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.588 -0.523 . . . . 2.65 109.588 179.108 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -91.76 146.18 23.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.255 0.55 . . . . 2.52 110.937 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.3 -164.72 11.53 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.312 -1.115 . . . . 1.41 110.312 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.65 93.55 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.295 0.547 . . . . 3.19 110.027 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 54.43 42.75 31.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.688 -0.687 . . . . 1.87 110.454 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -158.14 168.08 28.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 1.53 110.712 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -134.22 139.5 45.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.824 -0.806 . . . . 0.81 108.824 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.876 ' HH ' ' HZ2' ' A' ' 7' ' ' LYS . 12.4 p90 -152.99 149.55 28.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.183 0.516 . . . . 1.27 111.643 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 5' ' ' GLU . 63.8 mt -135.15 132.92 53.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.267 -0.879 . . . . 1.35 109.197 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.67 -148.73 9.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.403 -0.903 . . . . 1.52 112.407 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.68 -25.95 14.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.185 0.517 . . . . 2.62 110.818 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -163.8 172.09 14.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 1.69 109.489 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -53.07 -42.46 65.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 2.72 110.728 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.39 -25.14 25.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.188 0.518 . . . . 2.92 110.307 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.47 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 2.81 109.802 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.18 108.33 15.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.523 -0.762 . . . . 1.59 110.733 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -65.79 -40.35 91.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 1.94 109.925 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.38 121.6 26.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.488 -0.778 . . . . 1.25 109.58 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -133.38 128.46 35.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.0 0.428 . . . . 1.57 110.867 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.4 tt -129.27 117.71 44.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.537 -0.756 . . . . 1.09 109.117 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.81 139.87 46.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 1.29 111.189 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.6 173.74 11.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.938 -0.574 . . . . 1.16 110.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.02 155.45 27.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.12 -0.326 . . . . 4.43 110.12 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -82.56 115.45 21.54 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.308 -0.626 . . . . 0.92 109.308 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.52 -41.74 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.424 -0.353 . . . . 1.52 111.256 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -126.27 -86.99 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.749 -0.381 . . . . 1.74 111.447 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.76 -59.32 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.478 0.547 . . . . 3.36 112.478 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -112.86 3.79 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.065 -0.254 . . . . 2.34 111.51 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -99.69 124.86 45.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.009 0.433 . . . . 2.25 111.374 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pt -108.49 121.62 61.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.618 -0.719 . . . . 1.13 109.556 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.7 t30 -105.68 124.21 49.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 1.82 111.455 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.8 mt -81.01 121.68 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.017 -0.734 . . . . 1.37 109.017 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.02 -49.71 6.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.339 -0.392 . . . . 2.47 111.888 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -129.71 146.89 51.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.417 0.627 . . . . 2.94 111.557 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -144.74 102.94 3.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.093 -0.958 . . . . 1.22 109.24 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.53 122.04 5.23 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.711 -0.757 . . . . 0.73 112.256 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -129.05 142.06 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 110.36 -0.237 . . . . 1.5 110.36 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -78.68 92.44 4.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.856 0.836 . . . . 1.94 109.764 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -75.41 -37.56 60.37 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.529 -1.214 . . . . 3.12 111.527 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -70.69 -19.02 62.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 3.8 110.568 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.38 -58.71 2.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.127 -0.488 . . . . 4.97 110.577 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' HA2' HE22 ' A' ' 50' ' ' GLN . . . 141.38 63.92 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.488 -0.863 . . . . 3.87 112.44 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.7 34.51 4.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.878 -0.677 . . . . 3.78 112.034 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.444 HE22 ' HA2' ' A' ' 48' ' ' GLY . 24.2 mp0 -62.38 -56.74 15.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.836 0.35 . . . . 3.86 110.851 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.14 -30.39 65.29 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.579 -0.819 . . . . 1.45 111.743 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.34 -46.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.74 110.948 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.88 98.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.923 -0.656 . . . . 0.66 112.294 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -66.53 -34.02 76.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 2.54 110.818 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -39.19 73.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.428 -0.351 . . . . 2.91 110.628 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -64.32 -42.62 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.677 -0.49 . . . . 1.51 109.677 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.26 -35.12 80.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 1.81 109.517 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -62.56 -41.51 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.509 -0.768 . . . . 1.98 110.119 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.35 90.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 1.29 110.287 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.42 -43.76 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.18 109.972 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG23 ' CG ' ' A' ' 88' ' ' TYR . 63.9 t -62.82 -48.41 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.671 . . . . 1.11 111.074 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -44.49 96.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 1.76 110.52 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.497 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 55.1 t60 -66.81 -32.18 73.29 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.958 -0.564 . . . . 1.26 110.718 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 1.23 110.079 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -61.08 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 3.8 110.696 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' OE2' ' HA ' ' A' ' 63' ' ' HIS . 44.0 mt-10 -58.1 -50.18 74.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.82 111.333 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -100.97 14.45 31.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 1.51 112.206 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.24 43.06 29.83 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.559 0.695 . . . . 2.7 110.879 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -90.42 155.15 19.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.447 -0.797 . . . . 1.26 110.821 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.0 mptt -109.97 134.16 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.43 -0.952 . . . . 3.46 108.43 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.8 mt -100.84 139.42 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 112.937 0.717 . . . . 1.53 112.937 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -144.22 157.23 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.215 -1.357 . . . . 1.64 107.398 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.68 139.66 26.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.062 -0.655 . . . . 1.15 112.746 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -87.04 -35.39 18.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.552 -0.749 . . . . 1.25 109.199 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 124.43 23.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.665 -0.698 . . . . 1.99 109.621 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 m -55.14 -38.5 68.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.264 0.468 . . . . 1.44 112.264 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.28 -55.27 33.82 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.34 -0.144 . . . . 1.06 111.089 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.48 96.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 1.12 110.938 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HG2' ' OH ' ' A' ' 92' ' ' TYR . 6.6 tmtm? -61.1 -45.12 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 1.76 110.059 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -73.32 -24.08 60.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 1.41 110.789 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -52.72 44.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.773 0.32 . . . . 1.91 110.512 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.04 -26.89 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 1.23 110.122 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -72.12 -38.56 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.986 -1.007 . . . . 1.76 110.812 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.48 -44.55 19.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 2.69 110.7 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -74.07 101.5 3.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 1.6 110.74 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.46 -26.94 68.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 2.66 110.783 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -67.59 -15.98 63.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 1.7 111.919 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' CG ' HG23 ' A' ' 61' ' ' VAL . 19.3 m-30 -108.56 2.61 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 1.11 110.901 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.93 11.56 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.154 0.427 . . . . 2.77 112.154 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.53 -25.67 21.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 2.44 110.642 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.62 -4.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 1.51 111.009 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.518 ' OH ' ' HG2' ' A' ' 79' ' ' LYS . 22.9 t80 -91.11 133.49 35.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.466 . . . . 1.51 109.774 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt -83.55 45.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.206 -0.452 . . . . 2.03 111.09 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -87.92 -21.27 47.11 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.735 -0.745 . . . . 3.64 111.957 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.96 77.02 8.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.889 0.376 . . . . 6.92 110.19 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -89.19 -56.36 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.446 -0.343 . . . . 5.15 111.159 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.523 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 22.6 p80 -177.68 -38.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.022 0.379 . . . . 6.33 112.022 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -85.97 -42.03 14.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.675 -0.41 . . . . 6.29 111.343 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.2 m170 56.68 -176.9 0.05 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.14 0.576 . . . . 11.12 112.438 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.1 t60 62.09 -84.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.105 -0.952 . . . . 10.85 112.605 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -167.42 -53.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 9.84 109.981 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.561 -0.733 . . . . 13.34 110.154 -179.9 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.412 ' O9P' ' CEP' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 mtt . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.887 -0.412 . . . . 7.34 109.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -75.54 87.32 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.965 0.412 . . . . 6.89 109.917 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -156.2 142.94 18.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.605 . . . . 3.91 110.086 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.08 -100.13 0.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.179 -0.464 . . . . 2.76 110.34 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 42.7 mt-10 69.18 137.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.346 0.658 . . . . 2.91 111.711 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -81.03 84.21 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.904 -0.589 . . . . 1.46 109.491 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -72.86 126.64 30.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 2.65 109.867 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -109.71 126.08 53.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.049 0.452 . . . . 2.52 110.375 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.11 149.51 17.26 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.647 -0.706 . . . . 1.41 111.929 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 44.69 42.5 5.9 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.968 0.907 . . . . 3.19 112.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 60.1 38.62 20.34 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.358 0.599 . . . . 1.87 110.81 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -142.79 134.17 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.633 -0.712 . . . . 1.53 110.835 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -100.52 115.01 29.12 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.331 -0.989 . . . . 0.81 108.331 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -134.13 128.73 34.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.669 0.747 . . . . 1.27 112.13 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 17.2 mt -91.36 119.75 39.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.127 -0.942 . . . . 1.35 109.263 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.8 161.33 23.72 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.546 -0.835 . . . . 1.52 112.189 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.6 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.334 0.588 . . . . 2.62 110.991 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -157.31 156.98 33.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.813 -0.63 . . . . 1.69 109.585 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.22 -43.11 74.2 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.063 0.394 . . . . 2.72 112.063 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -87.45 4.5 43.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.12 0.486 . . . . 2.92 110.567 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.7 m-80 -115.07 20.04 15.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.721 -0.672 . . . . 2.81 109.935 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 109.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 1.59 110.847 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.77 -38.26 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.931 -0.577 . . . . 1.94 109.785 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.603 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -145.62 126.86 14.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 1.25 110.164 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.7 147.79 41.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.353 0.597 . . . . 1.57 112.05 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.9 tt -131.31 132.47 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 1.09 108.559 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -113.17 136.32 52.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.209 0.528 . . . . 1.29 112.304 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -136.15 138.76 42.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 1.16 109.402 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.2 mtm105 -125.46 141.69 51.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 4.43 111.042 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.95 95.77 5.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.597 -0.729 . . . . 0.92 109.604 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.71 -28.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.536 -0.302 . . . . 1.52 110.925 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -144.3 33.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 1.74 110.993 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 67.85 -66.37 0.22 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.911 -0.586 . . . . 3.36 111.533 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -90.45 18.79 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.18 0.514 . . . . 2.34 110.003 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -138.54 115.37 10.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.303 -0.862 . . . . 2.25 109.209 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.31 124.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 1.13 110.767 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.4 t30 -105.8 118.48 36.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.625 . . . . 1.82 110.799 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.91 116.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.791 -0.818 . . . . 1.37 108.791 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' C ' ' HG ' ' A' ' 75' ' ' CYS . 2.9 t0 -78.74 -59.33 2.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 2.47 111.591 -178.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -141.19 167.86 21.16 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.522 -0.471 . . . . 2.94 111.664 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -144.48 109.45 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 1.22 109.97 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.37 93.45 0.66 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.847 -0.692 . . . . 0.73 111.567 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 t -99.82 150.74 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.763 0.316 . . . . 1.5 111.309 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.22 141.23 58.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 1.94 110.356 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.626 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 32.3 t70 -143.69 114.95 7.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.327 -0.397 . . . . 3.12 111.069 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.82 -44.16 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 3.8 110.511 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.83 -40.37 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.088 -0.505 . . . . 4.97 110.632 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.497 ' HA2' ' OD1' ' A' ' 45' ' ' ASP . . . 118.5 1.34 15.65 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.707 -0.679 . . . . 3.87 111.525 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.52 62.87 0.59 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.149 -0.548 . . . . 3.78 111.924 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.626 ' NE2' ' HA ' ' A' ' 45' ' ' ASP . 1.4 mp0 -105.02 129.94 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.762 0.315 . . . . 3.86 110.262 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.72 14.59 64.63 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.144 -0.551 . . . . 1.45 112.651 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.17 -34.65 57.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.943 0.401 . . . . 1.74 110.895 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.58 -29.47 75.26 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.8 -0.714 . . . . 0.66 112.205 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 18.9 mttt -68.03 -39.74 83.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.946 -0.39 . . . . 2.54 109.946 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -42.66 99.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 2.91 110.381 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.06 -45.35 77.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 1.51 110.807 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.31 -39.1 92.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.81 110.335 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -60.78 -38.34 84.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 1.98 110.421 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.33 97.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 1.29 110.452 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.62 -47.03 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 1.18 110.14 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.59 -41.97 89.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 116.068 -0.515 . . . . 1.11 110.842 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -60.31 -53.61 55.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.719 -0.673 . . . . 1.76 110.933 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.561 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 2.8 t60 -66.14 -32.7 74.3 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.802 -0.635 . . . . 1.26 111.247 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.25 -47.71 81.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 1.23 111.102 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -62.57 -36.01 81.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.655 -0.248 . . . . 3.8 111.14 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.561 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 52.2 mt-10 -58.26 -40.52 82.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.82 111.496 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.69 8.8 33.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.33 -0.395 . . . . 1.51 112.017 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.32 54.34 7.78 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.704 0.764 . . . . 2.7 110.319 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.25 138.51 36.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.371 -0.831 . . . . 1.26 110.924 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -82.82 132.26 35.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.932 -0.766 . . . . 3.46 108.932 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.2 mt -105.8 128.46 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.378 0.609 . . . . 1.53 112.558 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 2.3 pt -136.39 139.95 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.892 -1.049 . . . . 1.64 108.538 178.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.92 138.97 53.38 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.799 -0.36 . . . . 1.15 111.447 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -94.84 -28.82 15.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.157 0.503 . . . . 1.25 110.317 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.432 ' HG ' ' C ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -70.53 132.28 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.595 -0.73 . . . . 1.99 110.341 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -36.35 76.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 1.44 111.776 -179.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.96 -57.34 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 1.06 111.16 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 1.12 111.027 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -62.28 -40.84 97.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.566 . . . . 1.76 110.093 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -65.92 -37.08 85.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 1.41 110.387 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 36.7 mtp -68.55 -43.18 77.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.454 . . . . 1.91 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.91 -35.28 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.23 110.249 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -78.86 -20.93 48.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.76 111.23 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -82.49 -50.51 8.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.668 0.271 . . . . 2.69 111.114 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.01 115.27 23.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.835 0.35 . . . . 1.6 111.167 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.62 -32.13 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 2.66 111.37 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -34.56 77.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 1.7 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -88.8 -28.94 20.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.239 0.542 . . . . 1.11 109.734 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.36 -19.47 63.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.443 -0.799 . . . . 2.77 111.654 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.68 -49.13 72.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.732 0.301 . . . . 2.44 111.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.4 m -87.62 -12.4 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 1.51 111.318 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -85.07 94.88 8.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.409 0.623 . . . . 1.51 109.697 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -78.66 -29.12 45.54 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.586 -0.734 . . . . 2.03 110.373 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 66.68 -110.9 3.75 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.946 -0.645 . . . . 3.64 112.019 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.62 119.01 26.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.023 0.44 . . . . 6.92 110.194 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.38 -23.33 62.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 5.15 110.824 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -140.21 140.46 35.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.0 -0.545 . . . . 6.33 109.768 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.48 103.4 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.802 -0.444 . . . . 6.29 109.802 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -94.47 139.12 31.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.845 -0.616 . . . . 11.12 111.486 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -90.93 119.87 31.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.827 -0.805 . . . . 10.85 108.827 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -59.14 152.44 20.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.401 -0.363 . . . . 9.84 110.83 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.384 -0.817 . . . . 13.34 110.126 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.401 ' O2A' ' C8A' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 mtt . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.619 0.247 . . . . 7.34 110.373 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m -72.27 84.18 1.05 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.303 0.573 . . . . 6.89 110.843 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -126.86 -170.01 2.13 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.193 -0.669 . . . . 3.91 109.193 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mp 58.29 37.62 26.02 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.6 0.714 . . . . 2.76 109.966 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.64 168.99 12.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.105 -0.952 . . . . 2.91 110.408 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 mt -77.42 97.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.312 0.577 . . . . 1.46 109.95 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -81.41 123.89 28.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.623 -0.717 . . . . 2.65 110.436 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.28 142.54 45.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 2.52 110.672 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.3 -168.49 11.31 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.297 -0.721 . . . . 1.41 111.297 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.37 87.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 3.19 111.229 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.23 39.48 30.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.554 0.693 . . . . 1.87 110.089 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 59.3 pttt -156.69 171.63 20.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.01 -0.996 . . . . 1.53 110.91 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -130.31 127.76 40.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.548 -0.908 . . . . 0.81 108.548 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -136.0 146.72 47.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.678 -0.409 . . . . 1.27 111.131 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -125.44 121.1 59.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.859 -0.61 . . . . 1.35 109.778 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.76 -179.61 35.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.488 -0.645 . . . . 1.52 111.488 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.92 -49.36 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.031 0.443 . . . . 2.62 110.743 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.76 164.26 27.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.714 -0.676 . . . . 1.69 109.779 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.45 -23.93 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.313 . . . . 2.72 111.198 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -88.42 -23.31 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.42 0.628 . . . . 2.92 109.325 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -120.86 51.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.336 -0.847 . . . . 2.81 109.242 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.35 148.04 22.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 1.59 111.186 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 mt -74.99 -37.98 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.754 -0.832 . . . . 1.94 108.754 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -172.17 145.2 1.72 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.165 -0.925 . . . . 1.25 110.662 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -142.3 140.98 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.486 . . . . 1.57 110.584 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -121.35 136.62 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.912 -0.585 . . . . 1.09 109.752 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.9 p -119.77 145.69 46.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.242 -0.435 . . . . 1.29 110.289 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.53 153.63 46.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.739 0.304 . . . . 1.16 110.408 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -135.3 158.97 43.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.123 -0.49 . . . . 4.43 110.395 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -96.6 110.08 22.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.539 -0.541 . . . . 0.92 109.539 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.1 m -78.73 -23.25 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.195 0.522 . . . . 1.52 110.821 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -141.72 -88.73 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.764 -0.653 . . . . 1.74 109.275 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -151.47 -54.81 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 3.36 110.575 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.433 ' OD1' HD21 ' A' ' 69' ' ' LEU . 31.6 t30 -102.0 12.6 36.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.316 0.579 . . . . 2.34 110.305 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -122.38 121.06 35.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 2.25 110.234 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 pt -117.14 131.3 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.435 . . . . 1.13 110.785 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -111.07 140.08 45.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.843 -0.617 . . . . 1.82 110.05 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.38 114.35 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.13 -0.693 . . . . 1.37 109.13 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -74.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 2.47 110.75 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.406 ' HB2' ' C ' ' A' ' 103' ' ' ACO . 21.8 p-80 -137.66 156.79 47.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 2.94 110.922 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.14 97.0 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 1.22 110.795 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.78 119.91 5.89 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.49 -0.862 . . . . 0.73 110.972 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.99 137.98 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.647 0.26 . . . . 1.5 110.732 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -85.08 152.86 23.09 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.895 -0.409 . . . . 1.94 109.895 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -79.81 -28.44 40.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.293 0.568 . . . . 3.12 109.834 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.47 83.37 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 3.8 111.046 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.4 mt 57.24 38.58 28.8 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.815 -0.63 . . . . 4.97 111.667 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.17 -56.59 0.83 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.55 -0.833 . . . . 3.87 112.105 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.03 -14.03 79.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.859 -0.686 . . . . 3.78 112.389 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -57.37 -54.54 45.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 3.86 111.199 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.53 -33.77 0.21 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.424 -0.893 . . . . 1.45 113.354 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.3 t -58.33 -45.4 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.909 0.355 . . . . 1.74 111.411 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -42.82 87.95 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.042 -0.599 . . . . 0.66 112.711 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -69.66 -35.06 74.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 2.54 110.552 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -65.22 -35.12 80.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 2.91 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.13 -53.28 55.9 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 1.51 110.321 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' HG21 ' A' ' 61' ' ' VAL . 7.4 mp -64.42 -30.65 71.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.724 -0.671 . . . . 1.81 110.43 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.85 -47.53 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 1.98 110.176 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.69 97.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.033 0.444 . . . . 1.29 111.008 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.98 -47.13 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.18 110.152 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 73.4 t -63.35 -41.16 91.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.373 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.9 mt-10 -58.48 -52.54 65.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.417 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.0 t60 -62.67 -31.76 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 1.26 110.52 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.2 -32.32 72.47 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.139 -0.482 . . . . 1.23 110.049 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 35.5 mmt180 -74.75 -34.0 62.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.246 0.546 . . . . 3.8 109.937 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 44.2 mt-10 -69.96 -50.6 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.531 -0.759 . . . . 1.82 111.695 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -93.55 -4.4 51.05 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.362 0.505 . . . . 1.51 112.362 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 62.91 44.26 6.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.098 0.475 . . . . 2.7 110.533 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD21 ' OD1' ' A' ' 34' ' ' ASN . 7.4 mt -88.01 153.25 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.511 -0.768 . . . . 1.26 110.911 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.92 139.05 30.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.119 -0.697 . . . . 3.46 109.119 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 38.7 mm -104.0 120.67 54.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.365 0.602 . . . . 1.53 112.211 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -126.09 135.84 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.885 -1.154 . . . . 1.64 107.885 177.557 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.4 120.62 38.14 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.871 0.693 . . . . 1.15 112.871 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -94.92 -32.27 13.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.333 -0.849 . . . . 1.25 109.001 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 10.7 t -72.79 126.54 30.15 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.314 -0.857 . . . . 1.99 109.858 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -43.14 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.525 0.565 . . . . 1.44 112.525 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.43 -55.2 36.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 1.06 111.532 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.94 97.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 1.12 111.044 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HZ3' ' CD ' ' A' ' 83' ' ' GLU . 8.8 tmtt? -60.12 -41.18 92.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 1.76 110.51 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -65.11 -35.35 80.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 1.41 111.4 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.4 mtp -77.92 -43.33 30.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.815 0.341 . . . . 1.91 111.133 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.5 -28.51 68.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 1.23 111.397 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.517 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 10.6 tt0 -85.29 -17.38 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.04 -0.527 . . . . 1.76 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -88.17 -53.62 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 2.69 111.198 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -69.7 129.13 38.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 1.6 110.939 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -63.22 -44.14 96.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.612 -0.722 . . . . 2.66 111.314 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -29.5 70.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 1.7 111.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -81.97 -28.79 32.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 1.11 110.484 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.517 ' NE2' ' HA ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -69.05 -14.23 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 2.77 111.053 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -78.24 -34.94 48.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.172 -0.467 . . . . 2.44 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -36.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 1.51 110.79 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 8.6 t80 -80.49 131.95 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.89 -0.595 . . . . 1.51 110.23 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 mt -74.02 72.2 1.63 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.29 0.567 . . . . 2.03 110.983 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.82 12.32 56.28 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.026 -0.607 . . . . 3.64 112.022 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.79 -15.15 61.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.795 0.331 . . . . 6.92 111.231 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.54 66.52 0.97 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.149 0.499 . . . . 5.15 110.494 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -89.96 51.2 2.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.446 0.641 . . . . 6.33 110.33 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -67.4 123.16 19.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.179 -0.919 . . . . 6.29 110.583 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 t60 57.85 65.38 1.33 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.616 -0.72 . . . . 11.12 110.157 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -91.35 77.53 5.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.732 -0.667 . . . . 10.85 110.12 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -130.09 88.96 2.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.128 -0.487 . . . . 9.84 110.271 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.223 -0.894 . . . . 13.34 109.557 -179.844 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.499 ' O2B' ' P3B' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.307 -0.257 . . . . 7.34 110.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -58.58 122.48 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 6.89 110.718 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -156.91 171.13 20.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.361 -0.381 . . . . 3.91 110.168 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.09 51.47 2.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.105 0.479 . . . . 2.76 111.276 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -90.9 149.84 21.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.908 -0.587 . . . . 2.91 109.844 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.0 mt -76.92 104.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.195 -0.457 . . . . 1.46 110.567 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -88.07 117.95 27.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.279 -0.637 . . . . 2.65 109.279 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -88.6 124.06 33.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.863 -0.608 . . . . 2.52 112.157 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.4 -173.05 19.02 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 109.463 -1.455 . . . . 1.41 109.463 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.94 101.04 1.04 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.952 0.876 . . . . 3.19 111.032 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 39.3 m-80 63.17 38.75 10.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.081 -0.963 . . . . 1.87 111.353 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -163.15 153.91 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 1.53 111.399 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -126.43 128.07 46.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.355 -0.98 . . . . 0.81 108.355 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -136.57 147.9 47.25 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.317 -0.553 . . . . 1.27 111.654 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -122.2 124.03 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.558 -0.746 . . . . 1.35 109.863 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.52 166.56 29.62 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.161 -0.776 . . . . 1.52 111.161 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -72.47 -28.27 62.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.917 0.358 . . . . 2.62 110.449 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -140.93 161.2 38.39 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 1.69 109.713 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -66.07 -37.61 86.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 2.72 110.872 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -73.92 -29.52 62.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 2.92 110.097 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -102.71 44.71 1.0 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.216 0.531 . . . . 2.81 110.366 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 105.71 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 1.59 109.948 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.79 -40.01 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 1.94 110.575 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -149.11 144.24 26.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.85 -0.614 . . . . 1.25 109.904 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -151.29 149.93 29.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.052 0.453 . . . . 1.57 110.979 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.36 135.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.511 -0.768 . . . . 1.09 109.097 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -114.69 139.47 49.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.724 0.297 . . . . 1.29 111.035 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.43 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.4 p90 -138.57 162.94 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.544 -0.539 . . . . 1.16 109.544 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -161.34 145.45 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.767 0.318 . . . . 4.43 111.102 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -80.34 103.41 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.92 110.06 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 m -90.67 -15.97 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.256 -0.429 . . . . 1.52 111.051 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -137.37 -163.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.157 -0.682 . . . . 1.74 109.157 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -65.27 -43.56 90.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.559 0.218 . . . . 3.36 111.056 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -138.85 24.6 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.687 0.279 . . . . 2.34 110.844 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -107.52 124.16 49.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.798 0.332 . . . . 2.25 110.641 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pt -110.0 123.16 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 1.13 110.439 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.623 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 20.2 t-20 -102.8 130.0 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.915 -0.584 . . . . 1.82 110.993 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.44 115.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.835 -0.621 . . . . 1.37 109.407 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.84 -68.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.321 -0.854 . . . . 2.47 111.861 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -144.24 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 2.94 111.397 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -139.58 113.62 8.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.35 -0.841 . . . . 1.22 109.563 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -118.95 127.35 7.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.426 -0.892 . . . . 0.73 112.134 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.7 130.25 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.999 -0.371 . . . . 1.5 109.999 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -76.01 136.87 39.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.239 0.543 . . . . 1.94 110.591 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -100.32 -3.58 30.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.473 -0.785 . . . . 3.12 110.522 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -68.68 -24.64 64.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.224 0.535 . . . . 3.8 110.703 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -86.66 -11.13 52.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 4.97 109.949 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.86 -103.12 0.72 Allowed Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.604 -0.725 . . . . 3.87 111.766 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.13 45.52 0.16 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.609 -0.597 . . . . 3.78 111.609 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -67.47 166.03 15.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.852 0.358 . . . . 3.86 110.388 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.8 32.44 1.93 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.251 -0.5 . . . . 1.45 113.166 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.82 -41.43 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.02 0.438 . . . . 1.74 110.201 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.14 -32.51 72.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.917 -0.659 . . . . 0.66 111.838 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -70.82 -40.77 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.546 -0.539 . . . . 2.54 109.546 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.72 -40.81 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.242 -0.89 . . . . 2.91 110.185 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.8 mt -70.1 -44.28 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 1.51 111.234 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.411 ' O ' HG21 ' A' ' 61' ' ' VAL . 59.9 tp -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.774 0.321 . . . . 1.81 110.304 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 17.1 ttpp -62.49 -38.73 90.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 1.98 110.583 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.08 78.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.828 0.347 . . . . 1.29 110.861 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.88 -51.44 27.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.078 -0.51 . . . . 1.18 110.423 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.412 HG11 ' CD1' ' A' ' 88' ' ' TYR . 61.6 t -60.18 -38.75 78.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.095 -0.502 . . . . 1.11 111.276 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.1 tt0 -57.99 -49.96 75.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.857 -0.61 . . . . 1.76 110.379 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.436 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 21.7 t60 -70.67 -30.43 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.787 -0.642 . . . . 1.26 110.699 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.67 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 1.23 110.018 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -61.66 -36.4 80.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 3.8 110.963 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 59.2 mt-10 -61.05 -40.94 95.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 1.82 111.598 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -99.76 8.06 44.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.536 -0.302 . . . . 1.51 111.518 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.1 m120 57.64 37.92 27.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.411 0.624 . . . . 2.7 110.577 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.0 mt -79.7 156.39 27.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.661 -0.699 . . . . 1.26 110.987 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.33 132.98 46.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 3.46 108.791 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 mt -106.3 133.41 50.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.459 0.647 . . . . 1.53 112.631 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.623 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.1 pt -135.17 130.3 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.566 -1.272 . . . . 1.64 107.566 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.43 124.03 37.49 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.551 0.574 . . . . 1.15 112.551 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 m -87.35 -24.61 24.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.337 -0.986 . . . . 1.25 108.337 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 15.8 t -67.86 116.59 8.69 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.673 -1.149 . . . . 1.99 109.703 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 1.44 111.748 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.44 -53.79 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 1.06 110.744 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.59 93.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 1.12 110.737 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.746 -0.661 . . . . 1.76 110.304 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -63.64 -41.23 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 1.41 111.767 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 3.7 ttm -77.72 -32.23 52.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.851 -0.34 . . . . 1.91 111.745 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.51 HD11 ' CD1' ' A' ' 92' ' ' TYR . 26.2 mt -70.17 -37.95 75.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 1.23 110.64 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.17 -15.45 47.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.155 -0.475 . . . . 1.76 110.792 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 81' ' ' MET . 12.1 tttm -51.54 -40.91 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.76 -0.654 . . . . 2.69 111.239 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.21 141.4 51.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.992 -0.549 . . . . 1.6 110.23 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -3.23 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.51 . . . . 2.66 110.657 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -68.76 -11.43 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.7 110.792 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.412 ' CD1' HG11 ' A' ' 61' ' ' VAL . 22.1 m-85 -115.76 11.36 15.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.176 -0.466 . . . . 1.11 110.843 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.51 -24.71 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.929 0.344 . . . . 2.77 111.929 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -80.45 -31.19 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.565 -0.454 . . . . 2.44 111.102 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.74 -41.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 1.51 111.46 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CD1' HD11 ' A' ' 82' ' ' LEU . 84.0 t80 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.89 0.376 . . . . 1.51 110.12 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.2 67.49 8.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.113 0.482 . . . . 2.03 110.084 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -83.3 61.18 4.8 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.739 -0.664 . . . . 3.64 112.436 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.9 tp -103.74 100.48 10.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.924 0.392 . . . . 6.92 110.222 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.8 133.29 45.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.779 -0.646 . . . . 5.15 110.212 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -78.43 83.0 4.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.773 0.797 . . . . 6.33 110.871 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -100.78 14.67 30.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.493 -0.776 . . . . 6.29 110.305 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -81.68 69.35 8.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 11.12 110.27 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -138.15 136.3 36.53 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.753 -0.658 . . . . 10.85 109.763 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -121.83 117.95 27.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.461 -0.336 . . . . 9.84 110.743 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.687 -0.673 . . . . 13.34 110.04 179.576 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.462 ' CDP' ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 mtm . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.725 0.298 . . . . 7.34 110.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -78.06 79.52 4.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.115 0.483 . . . . 6.89 111.148 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -140.09 153.86 46.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 3.91 109.75 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.89 -101.75 0.4 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.214 -0.448 . . . . 2.76 110.072 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 55.1 mt-10 67.62 137.23 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.22 0.608 . . . . 2.91 111.933 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.5 mt -83.23 81.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 1.46 109.694 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -71.87 128.35 35.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.839 -0.619 . . . . 2.65 109.628 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -109.62 122.08 46.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.243 0.544 . . . . 2.52 110.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.18 145.13 11.49 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.468 -0.787 . . . . 1.41 111.72 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 42.48 48.96 4.64 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.993 0.917 . . . . 3.19 112.903 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 57.12 36.71 27.94 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.389 0.614 . . . . 1.87 110.774 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' HB2' HG22 ' A' ' 27' ' ' THR . 21.4 ttpt -141.83 129.16 21.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.512 -0.767 . . . . 1.53 111.161 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -97.77 110.9 23.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.936 -1.135 . . . . 0.81 107.936 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -122.96 119.5 30.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.571 0.7 . . . . 1.27 111.279 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 30.9 mt -91.36 112.6 25.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.737 -0.838 . . . . 1.35 108.737 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.5 174.4 43.84 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.393 -0.908 . . . . 1.52 112.187 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.88 -13.92 43.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.125 0.488 . . . . 2.62 111.146 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -155.37 159.29 39.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.414 -0.357 . . . . 1.69 110.593 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -63.81 -27.53 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 2.72 110.579 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 4.14 50.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.167 0.508 . . . . 2.92 110.218 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -136.52 55.63 1.84 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.822 -0.626 . . . . 2.81 110.279 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.08 127.64 36.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.146 -0.479 . . . . 1.59 110.295 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.36 -23.26 57.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 1.94 109.263 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.49 135.94 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.837 . . . . 1.25 110.169 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.6 131.58 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.294 0.569 . . . . 1.57 111.467 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.21 129.03 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.844 -0.798 . . . . 1.09 108.844 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 12' ' ' LYS . 60.5 p -115.51 136.79 52.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.99 0.424 . . . . 1.29 111.457 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -134.73 135.84 42.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.147 -0.686 . . . . 1.16 109.147 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -117.98 142.41 47.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.955 0.407 . . . . 4.43 111.423 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -83.73 102.51 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.642 -0.708 . . . . 0.92 109.851 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 m -88.91 -29.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.74 0.305 . . . . 1.52 111.581 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -145.46 37.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 1.74 110.276 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 63.23 -73.03 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.471 -0.786 . . . . 3.36 112.523 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 12.8 m120 -80.59 12.85 2.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 2.34 110.999 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.64 113.74 12.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.482 -0.562 . . . . 2.25 109.482 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -111.44 123.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.182 -0.463 . . . . 1.13 111.051 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.2 t30 -105.01 122.49 45.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.836 -0.62 . . . . 1.82 110.524 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.538 HG22 ' SG ' ' A' ' 75' ' ' CYS . 82.9 mt -74.7 115.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.291 -0.633 . . . . 1.37 109.291 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.61 -59.81 2.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 2.47 111.219 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -143.96 159.88 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 2.94 111.399 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -145.59 105.16 3.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.525 -0.761 . . . . 1.22 109.058 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.06 143.33 18.04 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.415 -0.897 . . . . 0.73 112.614 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.98 125.27 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.75 -0.463 . . . . 1.5 109.75 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.8 96.07 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 1.94 109.537 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -148.1 111.13 4.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.555 -0.748 . . . . 3.12 110.536 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.49 -1.83 52.8 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.794 -0.639 . . . . 3.8 110.539 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.79 -51.75 4.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.165 -0.471 . . . . 4.97 109.934 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.74 68.43 0.79 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.807 -0.711 . . . . 3.87 112.384 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.08 11.59 0.02 OUTLIER Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.677 -0.773 . . . . 3.78 113.474 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -61.9 130.08 43.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 117.077 0.439 . . . . 3.86 111.014 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.89 -2.9 77.57 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 121.007 -0.616 . . . . 1.45 113.156 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.8 m -59.69 -31.11 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.877 0.325 . . . . 1.74 111.877 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.56 81.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.926 -0.654 . . . . 0.66 112.514 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -41.51 63.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.259 -0.274 . . . . 2.54 110.259 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -63.53 -34.73 78.43 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.435 . . . . 2.91 110.811 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.1 mt -64.06 -52.71 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.835 -0.62 . . . . 1.51 110.529 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.95 -37.17 86.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.84 -0.618 . . . . 1.81 110.786 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -39.69 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.98 110.424 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.68 94.44 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.224 -0.444 . . . . 1.29 110.65 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -49.01 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.92 -0.582 . . . . 1.18 110.458 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.63 -44.81 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 1.11 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.4 -45.97 92.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 1.76 110.765 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -67.34 -38.4 84.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.118 -0.492 . . . . 1.26 110.901 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.85 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 1.23 111.267 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -68.6 -43.52 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.917 0.389 . . . . 3.8 110.871 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -74.1 -35.77 64.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 1.82 112.121 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -94.42 1.41 55.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.368 0.507 . . . . 1.51 112.368 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 54.06 64.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.686 0.755 . . . . 2.7 109.801 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.16 138.35 48.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 1.26 111.195 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' HB3' HD21 ' A' ' 93' ' ' LEU . 30.5 mtmt -84.99 124.18 31.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.242 -0.89 . . . . 3.46 108.947 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.0 mt -95.67 132.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.486 0.66 . . . . 1.53 112.393 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.2 pt -139.62 130.03 31.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.895 -1.15 . . . . 1.64 107.895 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.29 145.3 48.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.498 0.555 . . . . 1.15 112.498 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -112.59 -8.16 13.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.533 -0.758 . . . . 1.25 110.066 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.538 ' SG ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -91.29 136.34 33.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.74 -0.664 . . . . 1.99 110.524 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -47.47 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 1.44 112.179 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.52 -54.69 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.556 -0.293 . . . . 1.06 111.764 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.09 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.376 -0.375 . . . . 1.12 111.073 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.67 -46.73 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.76 110.253 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -60.32 -43.42 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 1.41 110.477 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mmm -65.07 -45.1 86.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 1.91 111.574 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' CD1' ' A' ' 92' ' ' TYR . 33.3 mt -65.55 -37.15 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.384 . . . . 1.23 111.002 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -79.44 -15.99 56.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.76 110.797 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -80.89 -52.69 7.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.862 -0.608 . . . . 2.69 109.901 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.82 112.26 16.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.616 -0.72 . . . . 1.6 110.481 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.34 -32.31 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.013 0.435 . . . . 2.66 110.867 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -25.95 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.982 -0.554 . . . . 1.7 111.578 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -89.05 -17.55 29.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 1.11 111.05 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -74.15 -3.22 28.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.577 0.584 . . . . 2.77 112.577 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.15 -28.47 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.751 -0.463 . . . . 2.44 109.751 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.79 -16.78 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.891 -0.595 . . . . 1.51 110.99 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.502 ' CD1' HD13 ' A' ' 82' ' ' LEU . 64.5 t80 -99.0 128.41 45.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 1.51 110.291 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -114.91 -39.29 3.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.099 -0.501 . . . . 2.03 110.261 179.394 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.12 -142.28 29.22 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.802 -0.713 . . . . 3.64 111.808 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.5 133.5 35.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.961 -0.385 . . . . 6.92 109.961 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -85.03 -7.51 59.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.482 0.658 . . . . 5.15 110.289 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -149.59 143.46 25.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.297 -0.865 . . . . 6.33 108.692 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -69.22 94.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.34 0.591 . . . . 6.29 109.617 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -88.88 124.7 34.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.182 -0.917 . . . . 11.12 110.553 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -71.77 127.03 31.27 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.124 -0.695 . . . . 10.85 109.124 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -55.46 148.15 16.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 9.84 111.256 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.69 -0.671 . . . . 13.34 110.246 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.498 ' CDP' ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.881 -0.414 . . . . 7.34 109.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -86.41 84.24 7.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.452 0.644 . . . . 6.89 110.421 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -143.44 131.79 22.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.356 -0.838 . . . . 3.91 110.104 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -101.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.451 -0.341 . . . . 2.76 110.793 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 67.19 125.88 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.31 0.644 . . . . 2.91 111.477 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.43 96.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.365 -0.606 . . . . 1.46 109.365 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -85.44 131.31 34.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.884 -0.598 . . . . 2.65 109.576 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -111.81 128.75 56.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.906 0.384 . . . . 2.52 110.375 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.76 145.51 10.93 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.818 -0.706 . . . . 1.41 112.447 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 39.75 52.8 2.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.216 1.007 . . . . 3.19 113.259 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 59.14 38.17 23.81 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.953 -0.567 . . . . 1.87 111.628 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.424 ' HB2' HG22 ' A' ' 27' ' ' THR . 29.8 ttpt -146.97 136.89 23.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.176 -0.465 . . . . 1.53 111.144 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -105.58 117.04 33.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.991 -1.114 . . . . 0.81 107.991 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -132.08 136.42 47.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.52 0.676 . . . . 1.27 111.563 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.8 mt -104.03 123.04 57.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.302 -0.863 . . . . 1.35 109.559 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 165.61 29.04 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.826 -0.625 . . . . 1.52 111.725 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.38 -14.06 58.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.243 0.544 . . . . 2.62 110.897 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -155.4 156.59 35.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.834 -0.621 . . . . 1.69 109.662 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.81 -39.06 73.47 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.197 0.443 . . . . 2.72 112.197 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.69 3.29 51.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.397 0.617 . . . . 2.92 110.705 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -118.6 30.06 7.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.394 -0.821 . . . . 2.81 109.033 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 101.79 2.28 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.973 -1.012 . . . . 1.59 110.197 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.25 -34.17 75.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.772 -0.649 . . . . 1.94 110.045 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.94 127.19 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.578 -0.737 . . . . 1.25 110.008 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -140.66 136.17 32.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.481 0.658 . . . . 1.57 111.505 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 tt -124.72 130.76 73.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.276 -0.874 . . . . 1.09 108.686 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 12' ' ' LYS . 25.2 p -110.88 135.89 50.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 1.29 111.583 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -134.29 136.68 43.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.334 -0.617 . . . . 1.16 109.334 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -117.33 141.96 47.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.399 -0.364 . . . . 4.43 111.325 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -82.11 85.87 6.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.891 -0.781 . . . . 0.92 108.891 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -74.12 -23.55 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 1.52 112.02 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.77 40.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 1.74 110.519 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 65.8 -68.0 0.13 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.662 -0.699 . . . . 3.36 112.028 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 -17.6 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.196 0.522 . . . . 2.34 110.242 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -94.97 118.88 32.55 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.801 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 pt -112.37 122.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.194 0.521 . . . . 1.13 111.051 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.438 ' HA ' HG13 ' A' ' 72' ' ' ILE . 8.5 t30 -103.36 117.07 33.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.597 -0.729 . . . . 1.82 111.067 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 73' ' ' ALA . 81.8 mt -74.94 119.4 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.038 -0.727 . . . . 1.37 109.038 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.67 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.47 111.344 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -144.49 172.7 12.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 2.94 111.66 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.7 m -148.34 101.37 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 1.22 109.26 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.08 131.61 10.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.342 -0.933 . . . . 0.73 113.153 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.89 132.05 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.847 -0.427 . . . . 1.5 109.847 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -76.07 128.85 35.84 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.036 -0.357 . . . . 1.94 110.036 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -85.84 91.51 8.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.526 0.679 . . . . 3.12 110.101 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -84.48 -53.16 5.61 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.358 -0.837 . . . . 3.8 111.401 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.16 11.63 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 4.97 111.761 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.64 -45.0 3.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.639 -0.791 . . . . 3.87 112.781 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.33 61.26 4.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.119 -0.562 . . . . 3.78 112.238 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -89.52 90.87 8.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.041 0.448 . . . . 3.86 111.258 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.72 -11.64 84.38 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.893 -0.67 . . . . 1.45 111.751 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.4 m -57.52 -36.41 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 122.479 0.312 . . . . 1.74 111.38 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.67 99.82 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.819 -0.705 . . . . 0.66 111.631 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.82 -34.55 73.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 2.54 109.864 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -36.68 85.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.563 -0.744 . . . . 2.91 110.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 52' ' ' VAL . 75.1 mt -61.52 -55.65 28.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.127 -0.488 . . . . 1.51 110.764 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.22 -36.84 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.667 . . . . 1.81 111.122 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -42.34 91.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.98 110.372 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.28 76.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 1.29 110.621 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.0 -50.23 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.069 -0.514 . . . . 1.18 110.541 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.41 -38.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 1.11 111.203 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -60.84 -55.64 30.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.366 . . . . 1.76 110.521 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -62.64 -36.02 81.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.997 -0.547 . . . . 1.26 110.677 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.09 -51.02 66.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.149 -0.478 . . . . 1.23 110.645 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -59.76 -42.26 92.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 3.8 111.45 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -65.75 -30.72 71.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.23 0.456 . . . . 1.82 112.23 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.31 9.94 35.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.671 0.249 . . . . 1.51 111.671 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 55.05 45.16 26.86 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.586 0.707 . . . . 2.7 110.759 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.3 mt -92.32 144.17 25.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.669 . . . . 1.26 110.676 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -91.79 128.24 37.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.852 -0.796 . . . . 3.46 108.852 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.35 122.12 50.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 113.239 0.829 . . . . 1.53 113.239 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.438 HG13 ' HA ' ' A' ' 37' ' ' ASN . 2.9 pt -132.39 118.48 35.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.999 -1.0 . . . . 1.64 108.48 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.417 ' HA ' ' HB ' ' A' ' 38' ' ' ILE . . . -105.87 140.01 39.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.978 0.362 . . . . 1.15 111.978 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -92.6 -31.63 15.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.77 -0.65 . . . . 1.25 110.012 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 128.43 35.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.738 -0.664 . . . . 1.99 110.481 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -60.47 -31.03 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 1.44 111.235 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.62 -59.08 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 1.06 110.675 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -36.7 84.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 1.12 111.003 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 43.8 tttm -59.92 -47.02 87.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 1.76 110.45 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 61.4 t60 -66.07 -31.02 71.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 1.41 111.252 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 mtp -65.06 -36.79 85.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.918 0.39 . . . . 1.91 110.124 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.6 mt -73.01 -20.46 61.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.705 -0.68 . . . . 1.23 110.532 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 59.9 mt-10 -84.66 -40.93 16.83 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.53 . . . . 1.76 110.312 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.82 -43.81 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.502 -0.772 . . . . 2.69 111.036 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -83.38 110.66 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.056 0.455 . . . . 1.6 110.313 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.5 -29.68 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.544 . . . . 2.66 111.27 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -68.95 -22.82 64.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.419 . . . . 1.7 110.821 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.46 -29.05 19.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.11 110.566 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -59.35 -18.78 41.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.098 -0.501 . . . . 2.77 112.119 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.18 -51.68 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.609 0.242 . . . . 2.44 111.091 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.8 m -87.27 -23.67 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 1.51 111.275 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -80.01 124.1 28.41 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.571 -0.529 . . . . 1.51 109.571 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.476 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.2 pt? -112.6 -28.83 7.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.435 -0.348 . . . . 2.03 110.605 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.36 -126.48 35.83 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.957 -0.639 . . . . 3.64 112.027 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.7 127.41 53.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.702 0.287 . . . . 6.92 110.274 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.72 -26.21 54.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.433 0.635 . . . . 5.15 109.52 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -145.21 139.13 26.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.213 -0.903 . . . . 6.33 109.782 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -64.15 101.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.797 -0.446 . . . . 6.29 109.797 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -96.75 129.31 44.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.207 -0.452 . . . . 11.12 110.634 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -64.1 126.2 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.114 -0.494 . . . . 10.85 110.05 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -65.11 158.28 26.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.303 -0.408 . . . . 9.84 110.515 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.656 -0.688 . . . . 13.34 109.916 179.698 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 tpt . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.919 -0.401 . . . . 7.34 109.919 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 m 67.42 -79.43 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.632 -0.713 . . . . 6.89 110.455 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -170.67 22.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.648 -0.501 . . . . 3.91 109.648 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.5 mt -79.58 -6.83 57.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.639 -0.71 . . . . 2.76 112.173 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.74 117.05 12.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.68 0.276 . . . . 2.91 110.6 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.417 HG12 HD11 ' A' ' 15' ' ' ILE . 39.8 mt -60.81 115.88 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 1.46 111.116 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -91.47 140.41 29.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.127 -0.488 . . . . 2.65 110.279 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -90.87 142.09 28.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.529 . . . . 2.52 110.349 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.65 14.04 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.448 -0.661 . . . . 1.41 111.448 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.88 95.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.951 0.376 . . . . 3.19 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.53 35.37 20.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.61 -0.723 . . . . 1.87 110.581 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -159.94 170.89 20.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.582 . . . . 1.53 111.586 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -135.11 138.99 44.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.395 -0.965 . . . . 0.81 108.395 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -141.09 149.29 41.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.217 0.532 . . . . 1.27 111.915 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 HD11 HG12 ' A' ' 6' ' ' ILE . 48.9 mt -128.49 128.38 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.241 -0.891 . . . . 1.35 109.045 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.9 -163.87 34.44 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.241 -0.98 . . . . 1.52 112.339 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.92 -45.64 85.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.815 0.341 . . . . 2.62 111.709 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -161.1 174.13 14.15 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.681 -0.488 . . . . 1.69 109.681 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.7 -33.52 75.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.196 -0.668 . . . . 2.72 109.196 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.63 -11.8 55.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.668 -0.696 . . . . 2.92 110.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -132.69 48.83 2.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.878 -0.601 . . . . 2.81 109.958 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 130.96 37.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.146 0.498 . . . . 1.59 111.916 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -81.67 -57.59 3.38 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.43 -0.952 . . . . 1.94 108.43 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.135 -0.939 . . . . 1.25 109.503 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -147.92 143.3 27.26 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.089 0.471 . . . . 1.57 111.036 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 tt -137.75 129.84 40.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.579 -0.737 . . . . 1.09 109.389 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.609 ' OG1' ' HB2' ' A' ' 40' ' ' HIS . 76.4 p -119.11 135.53 54.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.862 0.363 . . . . 1.29 110.875 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 22.6 p90 -131.82 110.2 10.66 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.349 -0.611 . . . . 1.16 109.349 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -103.99 145.59 29.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.867 -0.606 . . . . 4.43 110.45 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -79.75 118.86 21.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.572 -0.74 . . . . 0.92 110.936 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.8 m -93.64 -14.52 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.748 -0.834 . . . . 1.52 108.748 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 33' ' ' ASN . 14.0 t70 -152.9 -158.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.357 -1.292 . . . . 1.74 108.182 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.496 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 80.4 m-20 -87.3 -40.22 14.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.988 0.423 . . . . 3.36 110.692 -179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -118.12 24.96 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.209 -0.45 . . . . 2.34 110.789 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.04 127.42 32.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 2.25 110.373 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.5 pt -124.01 150.76 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 1.13 110.976 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -125.4 135.64 52.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 1.82 110.617 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 27' ' ' THR . 67.6 mt -99.58 100.43 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.879 -0.786 . . . . 1.37 108.879 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 -23.5 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.638 0.607 . . . . 2.47 112.638 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.609 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 6.8 m80 -127.24 134.02 50.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.256 0.551 . . . . 2.94 112.174 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.43 85.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.115 -0.948 . . . . 1.22 108.894 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.87 137.81 12.67 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.529 -0.843 . . . . 0.73 112.403 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.62 97.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.382 -0.599 . . . . 1.5 109.382 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -92.33 142.55 27.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.864 -0.607 . . . . 1.94 109.816 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -164.5 132.23 3.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.008 0.432 . . . . 3.12 110.298 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -90.25 -11.06 42.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.523 -0.762 . . . . 3.8 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -76.53 -59.64 2.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.557 -0.292 . . . . 4.97 110.731 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.81 -4.99 0.03 OUTLIER Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.113 -1.042 . . . . 3.87 113.615 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.26 115.23 2.13 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.621 -0.799 . . . . 3.78 111.83 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -110.87 141.57 44.08 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.714 0.292 . . . . 3.86 110.476 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.31 41.21 2.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.027 -0.606 . . . . 1.45 112.495 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -76.92 -26.08 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.892 0.377 . . . . 1.74 110.733 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.91 -27.56 71.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.886 -0.673 . . . . 0.66 111.984 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -64.79 -37.19 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 2.54 110.716 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -74.13 -31.76 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 2.91 110.684 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.13 -50.9 43.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 1.51 110.883 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.67 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.81 110.894 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -58.55 -42.56 88.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 1.98 110.99 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.83 95.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.29 110.755 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.83 -45.56 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.53 . . . . 1.18 110.273 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.47 -45.29 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 1.11 110.229 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.54 -45.45 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.618 -0.719 . . . . 1.76 110.947 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -64.51 -40.67 96.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.564 . . . . 1.26 110.331 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.14 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 1.23 110.888 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -60.86 -40.06 91.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.901 0.382 . . . . 3.8 110.861 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -69.01 -35.05 76.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.443 0.534 . . . . 1.82 112.443 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -103.44 9.46 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.21 0.448 . . . . 1.51 112.21 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 56.92 56.64 5.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.198 0.523 . . . . 2.7 110.685 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.1 mt -112.53 148.09 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.651 -0.704 . . . . 1.26 110.631 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -95.17 137.61 33.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.945 -0.761 . . . . 3.46 108.945 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.91 123.56 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.702 0.63 . . . . 1.53 112.702 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.45 96.13 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.43 -0.805 . . . . 1.64 108.834 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.65 117.18 18.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.066 -0.515 . . . . 1.15 111.911 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -85.15 -20.43 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 1.25 109.482 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 139.27 33.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.41 -0.814 . . . . 1.99 109.47 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 m -61.15 -45.94 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.875 0.695 . . . . 1.44 112.875 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.3 -51.77 68.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.366 0.506 . . . . 1.06 112.366 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.81 83.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 1.12 111.135 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.44 -35.67 81.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 1.76 110.788 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -59.5 -41.69 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.738 -0.665 . . . . 1.41 111.204 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.6 ttm -77.23 -36.83 54.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.435 -0.348 . . . . 1.91 111.102 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.3 mt -59.71 -40.08 86.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 1.23 111.311 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.54 -15.94 58.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 1.76 111.98 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -89.37 -50.39 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.865 0.364 . . . . 2.69 111.065 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.31 120.69 19.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 1.6 110.413 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -63.96 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 2.66 111.151 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -34.04 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.089 0.471 . . . . 1.7 110.851 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -77.43 -21.78 52.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.106 0.479 . . . . 1.11 110.616 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.3 mt-30 -70.52 -5.83 31.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 2.77 111.305 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.88 -45.97 47.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.966 -0.561 . . . . 2.44 110.45 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.71 -7.19 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.093 0.473 . . . . 1.51 110.954 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.495 ' HH ' ' H ' ' A' ' 95' ' ' LEU . 72.0 t80 -89.07 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 1.51 109.931 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.88 -56.81 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.398 -0.365 . . . . 2.03 111.529 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 92' ' ' TYR . . . 140.88 108.16 0.72 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.545 -0.836 . . . . 3.64 112.248 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.495 ' H ' ' HH ' ' A' ' 92' ' ' TYR . 80.4 mt -113.85 5.44 16.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.003 0.43 . . . . 6.92 110.985 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.56 -79.34 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.412 -0.358 . . . . 5.15 110.419 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -146.04 89.23 1.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.017 0.377 . . . . 6.33 112.017 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -87.28 -13.9 42.41 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.877 -0.786 . . . . 6.29 108.877 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -164.66 154.86 14.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.994 -1.003 . . . . 11.12 109.398 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -75.31 -61.42 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.799 -0.445 . . . . 10.85 109.799 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -161.3 -44.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.832 -0.622 . . . . 9.84 109.954 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.466 -0.778 . . . . 13.34 109.786 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.527 ' O2B' ' P3B' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 109.994 -0.373 . . . . 7.34 109.994 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 m -76.72 88.79 3.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.965 0.412 . . . . 6.89 110.18 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -149.91 162.33 40.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.888 -0.596 . . . . 3.91 110.195 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.36 -104.28 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.865 -0.42 . . . . 2.76 109.865 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 67.95 141.41 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.405 0.621 . . . . 2.91 111.845 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 mt -78.32 95.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 1.46 110.059 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -88.84 121.89 31.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 2.65 109.453 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -98.18 159.41 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.381 -0.372 . . . . 2.52 110.622 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.55 150.37 5.64 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.78 -0.724 . . . . 1.41 112.416 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 42.48 43.79 3.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.226 1.011 . . . . 3.19 113.259 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 61.6 m-20 58.4 41.07 23.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.071 0.462 . . . . 1.87 110.815 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -150.99 138.67 19.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.111 -0.495 . . . . 1.53 111.33 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -106.82 111.96 24.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.482 -0.933 . . . . 0.81 108.482 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.468 0.651 . . . . 1.27 111.366 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mt -107.33 121.72 60.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.418 -0.81 . . . . 1.35 109.7 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.79 175.39 37.56 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.843 -0.617 . . . . 1.52 111.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.19 -28.52 29.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.1 0.476 . . . . 2.62 110.934 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.431 ' HB3' HD21 ' A' ' 21' ' ' ASN . 21.2 t70 -143.34 158.39 43.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.036 -0.529 . . . . 1.69 109.858 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -61.35 -32.88 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.747 -0.206 . . . . 2.72 111.337 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -91.82 10.42 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.207 0.527 . . . . 2.92 110.489 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.431 HD21 ' HB3' ' A' ' 18' ' ' ASP . 45.0 m-80 -136.45 36.68 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 2.81 109.613 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.74 128.17 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.765 -0.652 . . . . 1.59 110.667 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -85.56 -22.67 27.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.246 0.546 . . . . 1.94 109.801 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.72 136.09 11.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 1.25 110.528 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.85 139.68 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.352 0.596 . . . . 1.57 111.743 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 tt -125.48 131.07 72.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.92 -0.77 . . . . 1.09 108.92 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -110.12 133.96 52.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.168 0.509 . . . . 1.29 111.553 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 24.2 p90 -138.98 126.58 21.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.573 -0.74 . . . . 1.16 109.478 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -114.0 143.87 44.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.012 0.434 . . . . 4.43 111.868 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -85.19 94.33 8.87 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.243 -1.021 . . . . 0.92 108.243 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.9 m -86.2 -20.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 1.52 112.357 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -149.57 33.03 0.7 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.74 110.851 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 67.35 -72.65 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.68 -0.691 . . . . 3.36 111.444 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.65 23.15 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 2.34 110.783 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.81 115.38 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 2.25 109.602 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pt -106.92 122.48 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.171 0.51 . . . . 1.13 110.909 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.572 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 34.1 t30 -100.32 117.32 34.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.348 -0.842 . . . . 1.82 110.367 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -86.03 117.17 30.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.619 . . . . 1.37 109.642 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.04 -60.49 2.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 2.47 111.271 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -145.15 165.76 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 2.94 111.955 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -137.51 88.83 2.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.162 -0.926 . . . . 1.22 109.032 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.57 102.63 2.86 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.683 -0.77 . . . . 0.73 112.186 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -122.25 131.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 110.313 -0.254 . . . . 1.5 110.313 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.1 t -74.92 126.54 31.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.424 0.631 . . . . 1.94 109.961 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -159.74 109.91 1.89 Allowed 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.955 -1.021 . . . . 3.12 109.844 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -109.22 4.78 23.19 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.818 -0.628 . . . . 3.8 110.545 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.3 mt -110.08 -34.67 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.078 -0.51 . . . . 4.97 110.936 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.65 57.19 1.36 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.785 -0.721 . . . . 3.87 111.73 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.47 24.1 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.371 -0.918 . . . . 3.78 113.131 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.27 115.73 12.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.065 0.433 . . . . 3.86 109.998 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.43 -13.49 62.93 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.741 -0.663 . . . . 1.45 112.7 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.78 -43.58 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 122.472 0.309 . . . . 1.74 111.136 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.3 -41.63 96.57 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.826 -0.702 . . . . 0.66 112.421 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -68.55 -38.66 80.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.345 0.593 . . . . 2.54 109.916 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.109 -0.95 . . . . 2.91 111.244 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.1 mt -61.62 -47.9 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 1.51 110.878 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.06 -38.38 90.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 1.81 110.703 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -44.92 86.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.772 -0.649 . . . . 1.98 110.515 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.84 78.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 1.29 111.076 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 56' ' ' LEU . 50.2 t -69.25 -50.86 48.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.141 -0.481 . . . . 1.18 110.314 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.76 -42.15 81.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.991 -0.549 . . . . 1.11 111.002 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 5.3 mt-10 -57.67 -55.42 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.76 110.876 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.97 -35.47 80.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 1.26 110.433 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.11 -52.08 66.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 1.23 110.734 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.67 -32.01 72.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 3.8 111.083 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 54.7 mt-10 -68.5 -27.43 66.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 1.82 111.292 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -111.37 11.97 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.164 -0.471 . . . . 1.51 111.662 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 57.82 31.64 20.79 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.676 0.75 . . . . 2.7 110.754 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.57 128.6 34.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 1.26 110.367 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' HB3' HD21 ' A' ' 93' ' ' LEU . 28.3 mtmt -82.86 139.78 33.27 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.57 -0.9 . . . . 3.46 108.57 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -108.64 127.66 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 112.958 0.725 . . . . 1.53 112.958 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.572 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -130.68 105.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.718 -1.128 . . . . 1.64 108.881 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.72 135.04 37.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.909 0.385 . . . . 1.15 111.559 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.8 m -87.7 -22.77 24.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.554 . . . . 1.25 109.833 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 132.94 36.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.99 110.672 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -43.2 94.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.106 -0.497 . . . . 1.44 111.332 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.18 -53.8 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 1.06 111.098 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.95 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 1.12 111.106 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -62.25 -39.93 94.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.528 . . . . 1.76 110.411 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 80.8 t60 -65.15 -38.22 89.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 1.41 110.719 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.8 mmm -64.5 -38.74 92.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.231 0.538 . . . . 1.91 110.086 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.1 mt -68.91 -37.0 78.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.352 -0.84 . . . . 1.23 111.402 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 10.1 pt-20 -78.55 -17.45 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.802 0.334 . . . . 1.76 110.765 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -79.99 -55.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 2.69 110.775 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 85' ' ' GLU . 1.2 tp10 -75.64 130.15 38.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.352 -0.385 . . . . 1.6 111.021 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.5 -41.48 96.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 2.66 110.717 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -30.02 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 1.7 110.905 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -77.17 -34.91 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 1.11 110.237 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.64 -16.28 62.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.124 -0.489 . . . . 2.77 111.677 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.24 -47.99 74.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.361 . . . . 2.44 110.234 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.77 -25.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.154 -0.475 . . . . 1.51 111.315 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -77.27 118.08 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.798 -0.445 . . . . 1.51 109.798 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 70' ' ' LYS . 2.5 pt? -107.97 -34.59 6.86 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.094 -0.503 . . . . 2.03 110.551 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.56 -106.18 1.95 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.702 -0.761 . . . . 3.64 111.74 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mp -118.44 138.4 52.49 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.9 -0.407 . . . . 6.92 109.9 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -86.96 -16.21 36.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.275 0.56 . . . . 5.15 110.077 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -155.56 146.65 22.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.552 -0.749 . . . . 6.33 109.831 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.91 120.91 11.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.036 -0.357 . . . . 6.29 110.036 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -127.44 127.63 44.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.26 -0.427 . . . . 11.12 110.515 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -71.93 135.96 46.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.138 -0.483 . . . . 10.85 110.359 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -65.03 158.98 24.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 9.84 110.911 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.649 -0.691 . . . . 13.34 110.386 -179.782 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.445 ' O9P' H143 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.038 -0.356 . . . . 7.34 110.038 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 p -152.11 -68.98 0.16 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.264 -0.425 . . . . 6.89 110.047 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -157.25 148.33 21.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.523 -0.762 . . . . 3.91 109.166 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.36 56.88 2.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.335 0.588 . . . . 2.76 110.893 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 -87.69 141.52 28.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.41 -0.814 . . . . 2.91 109.887 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.7 mt -73.92 95.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.995 0.426 . . . . 1.46 111.119 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -82.58 124.07 29.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.397 -0.594 . . . . 2.65 109.397 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -101.66 128.42 47.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.203 0.525 . . . . 2.52 110.647 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.94 -159.83 11.18 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.206 -0.906 . . . . 1.41 111.278 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.28 92.64 0.02 OUTLIER 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.773 0.429 . . . . 3.19 111.318 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 52.29 46.55 26.45 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.747 -0.66 . . . . 1.87 110.964 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -165.29 158.19 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 1.53 111.343 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -123.57 134.17 53.86 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.576 -0.898 . . . . 0.81 108.576 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -144.11 146.47 32.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.049 0.452 . . . . 1.27 111.295 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 5' ' ' GLU . 86.4 mt -130.57 125.99 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.79 -0.641 . . . . 1.35 109.597 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.43 -173.42 46.23 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.421 -0.895 . . . . 1.52 112.283 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -77.57 -34.69 53.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.343 0.592 . . . . 2.62 110.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -148.11 168.95 21.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.293 -0.867 . . . . 1.69 109.283 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.8 -40.28 79.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.997 0.427 . . . . 2.72 110.091 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -85.77 -24.27 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 2.92 110.07 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -95.73 40.31 1.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 2.81 109.886 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 124.42 27.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.747 -0.66 . . . . 1.59 110.388 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.27 -24.13 43.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.626 0.727 . . . . 1.94 109.451 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.18 133.71 7.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.726 -1.125 . . . . 1.25 109.376 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -145.21 132.89 20.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.957 0.408 . . . . 1.57 111.229 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.58 127.45 70.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.793 -0.639 . . . . 1.09 109.533 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 p -115.58 148.07 40.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.602 -0.272 . . . . 1.29 111.213 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 37.3 p90 -142.84 161.6 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.602 -0.518 . . . . 1.16 109.602 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.89 157.04 43.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.718 0.294 . . . . 4.43 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -88.44 120.37 29.75 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.52 -0.548 . . . . 0.92 109.52 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.4 m -90.23 -37.99 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 1.52 111.647 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -132.0 -81.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.926 -0.31 . . . . 1.74 111.483 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.21 -78.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.013 0.375 . . . . 3.36 112.013 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -105.85 3.15 28.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.03 0.443 . . . . 2.34 110.787 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -86.39 118.45 25.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.907 -0.588 . . . . 2.25 110.666 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -108.03 123.11 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.113 -0.494 . . . . 1.13 110.503 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.7 t30 -98.05 127.45 44.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.84 -0.618 . . . . 1.82 112.016 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.76 106.26 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 107.796 -1.187 . . . . 1.37 107.796 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.64 -34.54 8.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.632 0.604 . . . . 2.47 112.632 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -115.11 135.25 54.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.381 0.61 . . . . 2.94 111.939 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.44 ' CB ' ' HG ' ' A' ' 75' ' ' CYS . 3.1 m -150.34 111.06 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.126 -0.943 . . . . 1.22 109.208 178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.05 127.3 6.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.67 -0.776 . . . . 0.73 112.22 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.87 134.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.012 -0.366 . . . . 1.5 110.012 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -76.44 103.39 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.548 . . . . 1.94 109.781 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.49 -28.69 33.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.716 -0.675 . . . . 3.12 111.374 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -42.76 59.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.126 0.489 . . . . 3.8 110.024 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -38.95 90.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.628 -0.714 . . . . 4.97 110.257 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.96 46.75 0.81 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.563 -0.827 . . . . 3.87 112.607 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.8 47.37 3.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.055 -0.593 . . . . 3.78 112.093 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -79.4 134.47 36.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.873 0.368 . . . . 3.86 110.061 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.13 -30.67 5.04 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.921 -0.581 . . . . 1.45 112.034 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 t -62.26 -50.75 78.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 1.74 110.603 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -33.52 86.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.906 -0.664 . . . . 0.66 112.191 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -70.67 -40.57 72.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 2.54 110.124 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -67.18 -34.94 78.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 2.91 109.788 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.6 mt -64.82 -47.86 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 1.51 109.828 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.21 -34.04 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 1.81 110.008 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.16 -42.74 95.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 1.98 109.849 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.5 92.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.29 110.101 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.51 -48.05 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.94 -0.573 . . . . 1.18 109.782 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.39 -41.22 91.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 115.852 -0.613 . . . . 1.11 110.612 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 1.9 tp10 -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.049 -0.523 . . . . 1.76 110.167 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -64.39 -30.33 71.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.836 -0.62 . . . . 1.26 111.179 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.78 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.286 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.51 -34.44 77.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 3.8 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.5 mt-10 -66.79 -30.64 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 1.82 111.796 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -110.85 8.27 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.079 0.399 . . . . 1.51 112.079 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.9 t30 57.32 39.16 28.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.659 0.742 . . . . 2.7 110.359 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.4 mt -86.76 152.89 22.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.476 -0.783 . . . . 1.26 110.877 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.6 mptt -108.69 121.95 46.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.854 -0.795 . . . . 3.46 108.854 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mt -87.33 127.2 40.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.352 0.596 . . . . 1.53 112.055 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.557 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.6 pt -133.29 91.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.961 -1.018 . . . . 1.64 108.707 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.25 122.77 32.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.574 0.583 . . . . 1.15 112.574 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 m -92.04 -23.68 19.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 1.25 108.818 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.44 ' HG ' ' CB ' ' A' ' 41' ' ' THR . 7.1 t -63.87 124.98 22.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.265 -0.88 . . . . 1.99 109.194 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -44.53 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.376 0.51 . . . . 1.44 112.376 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.84 -51.52 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 1.06 111.146 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.2 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 1.12 110.939 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.36 -46.27 89.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 1.76 110.414 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.27 -42.88 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 1.41 111.591 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.8 ttp -74.72 -37.85 62.45 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.736 -0.386 . . . . 1.91 111.239 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -41.08 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.419 -0.355 . . . . 1.23 111.199 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -76.74 -26.93 55.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.726 -0.472 . . . . 1.76 109.726 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -70.03 -45.86 66.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 2.69 110.106 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.03 98.42 11.26 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.632 -0.713 . . . . 1.6 110.237 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.45 -28.27 65.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.143 0.497 . . . . 2.66 110.664 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -27.3 68.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.598 -0.728 . . . . 1.7 111.958 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -92.04 -2.73 56.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.68 0.276 . . . . 1.11 111.435 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -80.22 7.05 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.234 0.457 . . . . 2.77 112.234 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.62 -25.12 38.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.203 -0.666 . . . . 2.44 109.203 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 m -119.35 -22.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 1.51 110.079 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -89.16 131.27 35.37 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.002 -0.74 . . . . 1.51 109.002 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt -75.75 57.05 0.98 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.931 0.345 . . . . 2.03 111.931 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.83 -28.61 28.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.927 -0.654 . . . . 3.64 111.646 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 79.39 9.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.085 0.469 . . . . 6.92 110.249 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -90.21 -59.52 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.195 -0.457 . . . . 5.15 111.339 -179.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.422 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 19.2 p80 -171.38 -35.22 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.543 0.571 . . . . 6.33 112.543 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -90.79 -40.95 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.472 -0.491 . . . . 6.29 111.839 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.9 m80 59.3 179.12 0.08 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.158 0.429 . . . . 11.12 112.158 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.41 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 5.0 t60 53.44 -94.47 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.623 -0.717 . . . . 10.85 112.106 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.41 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 22.4 t-80 -147.62 -47.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.199 -0.297 . . . . 9.84 110.199 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.332 -0.842 . . . . 13.34 110.243 179.704 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.505 0.193 . . . . 7.34 110.83 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m -83.1 77.97 9.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.013 0.435 . . . . 6.89 110.183 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -124.57 178.88 5.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.913 -0.585 . . . . 3.91 109.794 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.25 36.61 20.78 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.367 0.603 . . . . 2.76 110.358 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -90.07 163.92 14.69 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.314 -0.857 . . . . 2.91 109.945 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -68.42 102.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.301 -0.409 . . . . 1.46 110.826 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -86.42 132.45 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.512 -0.551 . . . . 2.65 109.512 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -87.43 137.02 32.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.095 0.474 . . . . 2.52 110.745 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.38 -167.21 12.17 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.205 -0.758 . . . . 1.41 111.205 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.56 97.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.832 0.316 . . . . 3.19 111.154 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.49 36.11 27.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.663 -0.698 . . . . 1.87 110.905 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 51.1 pttt -163.1 173.0 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 1.53 111.753 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -128.92 138.41 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.403 -0.962 . . . . 0.81 108.403 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -152.23 154.97 36.84 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.664 -0.415 . . . . 1.27 111.442 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.6 mt -127.15 136.64 60.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 1.35 109.386 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.58 169.2 12.56 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.033 -0.603 . . . . 1.52 111.619 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.06 -59.81 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.32 . . . . 2.62 110.983 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.59 162.78 25.67 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.364 -0.606 . . . . 1.69 109.364 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -60.8 -39.85 90.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.554 0.216 . . . . 2.72 111.442 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.01 -32.03 73.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.117 0.484 . . . . 2.92 111.168 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -111.34 27.26 9.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 2.81 110.64 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.03 129.85 41.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.561 . . . . 1.59 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.41 -42.07 98.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.433 -0.58 . . . . 1.94 109.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.01 145.71 17.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 1.25 110.666 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -146.17 146.21 30.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.015 0.436 . . . . 1.57 110.473 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 16.7 tt -133.63 133.18 57.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 1.09 109.386 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 p -111.19 140.88 45.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.646 0.26 . . . . 1.29 111.253 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.2 p90 -136.41 150.56 48.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.468 -0.333 . . . . 1.16 110.437 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -142.12 160.95 39.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 4.43 110.488 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -91.26 109.37 20.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.92 109.873 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.6 m -76.67 -25.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 1.52 110.459 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.32 -79.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.928 -0.578 . . . . 1.74 110.078 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -158.93 -56.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 3.36 110.484 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -99.73 19.04 16.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 2.34 109.923 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -131.98 126.41 33.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.887 -0.597 . . . . 2.25 110.409 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 pt -120.22 133.53 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.948 0.404 . . . . 1.13 110.464 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.6 p-10 -108.09 144.13 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.979 -0.555 . . . . 1.82 110.957 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -91.44 101.21 12.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.912 -0.773 . . . . 1.37 108.912 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -55.48 -63.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 2.47 111.462 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -145.06 164.18 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.076 0.465 . . . . 2.94 111.156 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -142.33 117.99 10.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.532 -0.758 . . . . 1.22 109.287 179.289 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.47 135.33 8.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.527 -0.844 . . . . 0.73 112.503 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.4 t -132.66 142.85 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 1.5 109.443 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -83.48 131.02 35.04 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.068 -0.345 . . . . 1.94 110.068 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.3 -12.59 59.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.339 -0.391 . . . . 3.12 110.922 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -77.25 62.79 2.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.056 -0.52 . . . . 3.8 111.405 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 mp 55.24 42.14 30.72 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.905 -0.589 . . . . 4.97 111.79 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.38 26.04 3.75 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.615 -0.803 . . . . 3.87 112.177 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -128.42 11.39 6.41 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.582 -0.818 . . . . 3.78 112.726 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.2 83.84 2.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 3.86 110.805 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.93 -7.57 42.22 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.962 -0.563 . . . . 1.45 113.531 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 t -61.15 -52.24 63.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 1.74 111.042 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.11 -29.61 74.94 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.871 -0.68 . . . . 0.66 112.459 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -73.54 -29.79 62.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 2.54 110.52 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -67.71 -37.1 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 2.91 109.814 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.91 -48.46 76.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.597 -0.728 . . . . 1.51 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.02 -35.87 76.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.649 -0.705 . . . . 1.81 110.808 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.15 -47.31 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 1.98 110.477 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.7 94.14 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.564 . . . . 1.29 111.271 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.08 -52.09 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 1.18 110.561 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 88' ' ' TYR . 71.7 t -62.92 -38.09 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 1.11 110.713 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 16.3 mt-10 -59.14 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.445 -0.343 . . . . 1.76 110.368 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.553 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.7 t60 -63.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.452 . . . . 1.26 110.256 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.62 -29.3 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 1.23 110.122 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -75.51 -35.33 60.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 3.8 109.915 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.553 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 45.0 mt-10 -72.41 -48.68 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.344 -0.844 . . . . 1.82 111.609 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -92.33 -1.38 57.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.148 0.425 . . . . 1.51 112.148 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 60.98 38.01 17.73 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.953 0.406 . . . . 2.7 111.074 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.8 mt -82.6 161.27 22.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.887 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -96.92 139.33 33.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.442 -0.799 . . . . 3.46 108.85 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 35.9 mm -106.25 122.22 59.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.098 0.475 . . . . 1.53 111.589 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -132.99 137.14 54.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.542 -0.91 . . . . 1.64 108.542 177.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.11 132.07 55.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 1.15 112.507 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -102.08 -0.11 34.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.592 -0.731 . . . . 1.25 109.339 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 7.5 t -111.03 137.2 48.95 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.284 -0.871 . . . . 1.99 110.301 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.1 m -59.38 -44.71 92.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 1.44 112.227 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.64 -53.87 52.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 1.06 111.363 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB3' ' OG1' ' A' ' 41' ' ' THR . . . -58.57 -41.09 84.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 1.12 111.057 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.748 ' HZ3' ' HH ' ' A' ' 92' ' ' TYR . 32.7 tttm -60.45 -46.45 90.0 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.094 -0.336 . . . . 1.76 110.094 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.65 -41.68 91.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 1.41 110.475 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.1 mmm -65.57 -43.78 88.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.967 -0.561 . . . . 1.91 111.004 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 92' ' ' TYR . 49.3 mt -68.5 -31.84 71.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 1.23 110.932 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 92.9 mt-10 -77.58 -25.58 50.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 1.76 109.816 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -75.58 -52.72 9.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 2.69 110.696 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 108.33 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.222 -0.445 . . . . 1.6 110.649 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.86 -26.82 68.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.956 -0.565 . . . . 2.66 111.042 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -38.4 86.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 1.7 110.421 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.447 ' CD1' HG22 ' A' ' 61' ' ' VAL . 13.9 m-30 -80.55 -29.14 37.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 1.11 109.444 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' A' ' 89' ' ' GLN . 3.3 tt0 -68.41 -9.54 49.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.371 -0.831 . . . . 2.77 111.4 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.54 -40.15 88.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.291 0.567 . . . . 2.44 109.685 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m -103.87 -18.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 1.51 110.911 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.748 ' HH ' ' HZ3' ' A' ' 79' ' ' LYS . 3.1 t80 -86.13 133.0 33.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 1.51 109.998 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.82 79.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.116 -0.493 . . . . 2.03 110.743 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -87.17 3.95 86.5 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.761 -0.654 . . . . 3.64 112.942 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -68.99 -22.92 64.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.17 0.51 . . . . 6.92 110.126 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -101.23 101.93 12.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.809 -0.632 . . . . 5.15 109.998 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -154.14 36.75 0.43 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.465 -0.789 . . . . 6.33 109.619 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -65.94 130.57 43.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.641 -0.709 . . . . 6.29 110.862 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.9 t60 58.43 56.32 4.44 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.939 0.775 . . . . 11.12 110.777 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -90.4 96.78 10.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.543 -0.753 . . . . 10.85 109.865 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -139.26 113.34 8.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.343 -0.389 . . . . 9.84 110.489 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.703 -0.665 . . . . 13.34 109.725 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.52 ' P1A' ' O4B' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' O ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 121.108 0.48 . . . . 7.34 110.601 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.09 -77.48 0.48 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.01 -0.541 . . . . 6.89 110.378 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.408 ' OD1' ' HG2' ' A' ' 5' ' ' GLU . 28.6 t-20 -154.96 158.84 39.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.884 -0.598 . . . . 3.91 109.689 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.4 mt -80.61 56.27 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.113 0.482 . . . . 2.76 110.353 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' HG2' ' OD1' ' A' ' 3' ' ' ASN . 10.6 mm-40 -91.88 138.4 31.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.868 -0.605 . . . . 2.91 111.409 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -82.78 86.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 1.46 109.764 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.588 ' HZ1' ' HH ' ' A' ' 14' ' ' TYR . 7.1 mmmm -71.94 130.27 40.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.709 -0.678 . . . . 2.65 110.254 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -106.73 128.28 54.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.297 0.57 . . . . 2.52 110.502 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.83 -151.18 8.75 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.449 -0.796 . . . . 1.41 111.631 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.7 87.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.585 0.354 . . . . 3.19 110.641 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 51.2 44.0 28.95 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.681 -0.691 . . . . 1.87 110.532 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -153.82 158.69 41.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.655 -0.702 . . . . 1.53 111.054 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.57 133.23 53.35 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.391 -0.966 . . . . 0.81 108.391 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.588 ' HH ' ' HZ1' ' A' ' 7' ' ' LYS . 14.7 p90 -147.58 148.43 31.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.323 0.582 . . . . 1.27 111.556 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -126.28 121.3 58.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.442 -0.799 . . . . 1.35 109.169 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.93 175.37 45.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.288 -0.958 . . . . 1.52 112.301 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.81 -42.73 69.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.421 0.629 . . . . 2.62 110.634 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.93 165.52 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.116 -0.947 . . . . 1.69 109.595 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.31 -41.77 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.404 . . . . 2.72 110.999 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -82.14 -19.11 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.422 0.629 . . . . 2.92 110.14 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -100.23 41.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.577 -0.738 . . . . 2.81 110.118 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.12 110.82 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 1.59 110.757 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.5 mt -72.69 -26.47 61.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.11 -0.495 . . . . 1.94 110.175 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' TYR . . . -148.96 130.74 15.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.699 -0.682 . . . . 1.25 109.773 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.73 142.91 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.005 0.431 . . . . 1.57 111.207 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -139.87 135.93 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.665 -0.698 . . . . 1.09 109.122 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 145.13 48.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.83 0.348 . . . . 1.29 111.656 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -140.49 161.79 36.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.813 -0.631 . . . . 1.16 109.344 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.93 152.69 32.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.669 0.271 . . . . 4.43 110.393 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -87.42 113.48 23.16 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.407 -0.59 . . . . 0.92 109.407 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.21 -27.01 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 1.52 111.969 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -142.79 -76.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.572 -0.451 . . . . 1.74 111.589 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -134.38 -60.19 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.571 0.582 . . . . 3.36 112.571 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -117.81 -2.18 11.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 2.34 111.401 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -86.84 114.82 23.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.28 -0.418 . . . . 2.25 111.4 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 pt -103.2 120.4 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.87 -0.605 . . . . 1.13 109.861 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.2 t30 -103.67 120.02 40.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.82 111.729 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -82.11 114.04 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.647 -0.871 . . . . 1.37 108.647 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.6 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 30.1 t70 -100.58 -54.18 2.9 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.264 0.838 . . . . 2.47 113.264 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -111.79 141.37 45.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.507 0.67 . . . . 2.94 112.06 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.61 143.09 31.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.983 -1.008 . . . . 1.22 108.503 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.89 114.07 0.59 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 119.338 -1.41 . . . . 0.73 113.822 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 ' H ' ' C9P' ' A' ' 103' ' ' ACO . 8.5 t -123.37 144.61 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.29 -1.004 . . . . 1.5 108.29 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -71.83 114.77 10.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.329 0.585 . . . . 1.94 110.893 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -81.16 -14.71 57.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.573 -0.74 . . . . 3.12 109.768 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.51 -25.37 45.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.713 0.768 . . . . 3.8 108.939 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 tt -88.83 -35.82 16.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.963 -1.017 . . . . 4.97 109.314 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.15 48.68 2.38 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.664 -0.698 . . . . 3.87 111.704 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.32 71.22 2.29 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.993 -0.622 . . . . 3.78 112.043 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.16 -58.85 2.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.797 0.332 . . . . 3.86 110.159 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.55 -31.23 51.23 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.971 -0.633 . . . . 1.45 111.862 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 t -57.83 -44.82 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 1.74 110.809 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.3 -33.32 86.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.93 -0.652 . . . . 0.66 112.153 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -74.05 -35.28 64.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.685 0.278 . . . . 2.54 110.418 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -58.71 -50.27 74.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.192 -0.458 . . . . 2.91 111.688 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -43.92 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.143 -0.223 . . . . 1.51 111.577 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.95 -40.07 95.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.103 0.478 . . . . 1.81 110.196 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' HG2' ' OE2' ' A' ' 62' ' ' GLU . 26.9 ttpp -58.61 -41.55 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 1.98 110.401 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.98 77.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.845 -0.616 . . . . 1.29 110.942 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -67.77 -43.31 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.579 -0.526 . . . . 1.18 109.579 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' A' ' 71' ' ' ILE . 85.5 t -64.24 -42.46 95.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.514 -0.766 . . . . 1.11 110.554 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.529 ' OE2' ' HG2' ' A' ' 58' ' ' LYS . 52.1 mt-10 -64.98 -47.01 79.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.564 -0.744 . . . . 1.76 111.266 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -66.13 -31.67 72.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.155 -0.475 . . . . 1.26 110.447 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.85 88.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 1.23 110.442 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.1 -33.85 76.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 3.8 110.772 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.74 -38.94 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 1.82 111.378 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.55 12.33 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.104 0.409 . . . . 1.51 112.104 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 56.81 38.18 29.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.501 0.667 . . . . 2.7 110.693 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.6 mt -81.72 161.65 23.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.568 -0.742 . . . . 1.26 111.03 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.1 mptt -110.08 130.21 55.57 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.589 -0.893 . . . . 3.46 108.589 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 61' ' ' VAL . 54.8 mt -100.71 127.46 53.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.732 0.777 . . . . 1.53 112.622 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -135.18 158.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.395 -1.275 . . . . 1.64 107.628 177.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.77 136.29 20.42 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.961 -0.696 . . . . 1.15 112.478 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 p -98.32 -22.14 16.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.749 -0.834 . . . . 1.25 108.749 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.6 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 7.5 t -71.4 130.6 41.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.964 -1.016 . . . . 1.99 110.029 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -46.12 91.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 1.44 111.386 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.57 -49.77 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 1.06 110.872 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -45.88 93.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 1.12 111.009 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -64.37 -41.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 1.76 110.269 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -58.66 -40.54 83.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.409 -0.36 . . . . 1.41 110.504 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mtp -64.48 -41.41 96.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 1.91 110.198 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.4 -38.2 74.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 1.23 110.77 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.33 -39.62 81.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 1.76 110.997 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -72.69 -36.02 67.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 2.69 110.684 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.01 84.65 6.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.322 -0.622 . . . . 1.6 109.322 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.84 -25.07 62.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.171 -0.468 . . . . 2.66 111.526 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -9.94 59.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.034 -0.53 . . . . 1.7 111.163 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -96.17 -2.72 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.424 -0.353 . . . . 1.11 111.089 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.418 ' OE1' ' HA3' ' A' ' 94' ' ' GLY . 11.0 mt-30 -75.9 6.37 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.452 . . . . 2.77 110.975 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -26.53 58.06 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.344 -0.613 . . . . 2.44 109.344 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.87 -22.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.651 -0.704 . . . . 1.51 110.691 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -86.45 132.52 33.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.51 110.256 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.8 mt -79.59 73.83 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 2.03 111.383 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.418 ' HA3' ' OE1' ' A' ' 89' ' ' GLN . . . -109.7 -15.46 12.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 3.64 111.434 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.61 76.47 2.0 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.482 -0.562 . . . . 6.92 109.482 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -84.89 -58.05 2.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.519 -0.764 . . . . 5.15 111.72 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.463 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 12.2 p80 -174.55 -37.01 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.116 0.413 . . . . 6.33 112.116 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -89.22 -35.74 16.03 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.176 -0.61 . . . . 6.29 111.205 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.8 m170 58.27 -176.26 0.08 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.184 0.516 . . . . 11.12 112.34 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.2 t60 51.96 -107.91 0.35 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.35 -0.841 . . . . 10.85 111.525 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -135.72 -42.24 0.68 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.033 0.444 . . . . 9.84 109.866 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 115.619 -0.718 . . . . 13.34 109.324 179.425 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.552 ' O9P' ' CEP' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.144 -0.317 . . . . 7.34 110.144 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 p -139.0 -86.18 0.24 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.044 0.449 . . . . 6.89 110.108 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -129.15 139.34 51.97 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.148 -0.478 . . . . 3.91 110.285 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' HG ' HG21 ' A' ' 15' ' ' ILE . 3.2 tp -75.85 79.96 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.594 . . . . 2.76 110.839 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -111.39 144.17 41.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.074 -0.512 . . . . 2.91 110.749 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -80.76 109.09 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.335 -0.393 . . . . 1.46 110.741 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -94.24 125.58 38.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.392 -0.367 . . . . 2.65 110.448 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -88.12 114.48 24.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.482 0.658 . . . . 2.52 109.783 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.1 -161.55 22.71 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.263 -0.88 . . . . 1.41 111.774 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.03 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 3.19 110.545 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 52.36 43.23 31.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.583 -0.735 . . . . 1.87 110.496 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -160.13 172.37 17.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 1.53 111.256 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -132.84 128.1 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.27 -1.011 . . . . 0.81 108.27 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.96 152.72 46.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.06 0.457 . . . . 1.27 111.269 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 HG21 ' HG ' ' A' ' 4' ' ' LEU . 60.8 mt -134.79 134.61 53.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.403 -0.817 . . . . 1.35 109.473 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 -169.75 41.57 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.173 -1.013 . . . . 1.52 112.597 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.98 -31.08 50.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.344 0.592 . . . . 2.62 110.097 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -159.17 170.73 21.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.033 -0.985 . . . . 1.69 108.687 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.75 -35.77 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.221 0.534 . . . . 2.72 110.047 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -86.45 -22.9 26.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.288 0.566 . . . . 2.92 110.125 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -101.55 44.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.694 . . . . 2.81 109.546 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.04 131.27 41.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.544 -0.753 . . . . 1.59 111.24 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -96.4 -15.55 21.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.846 -0.615 . . . . 1.94 109.641 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.96 134.99 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 1.25 109.048 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -153.23 134.87 14.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.247 0.546 . . . . 1.57 112.028 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -128.75 130.01 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.324 -0.853 . . . . 1.09 109.042 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -119.71 142.96 48.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 1.29 111.41 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -143.67 167.91 21.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.35 -0.611 . . . . 1.16 109.35 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 154.05 34.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.68 0.276 . . . . 4.43 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -80.37 103.13 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.92 109.249 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.29 -31.93 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.435 -0.348 . . . . 1.52 111.627 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -130.76 -88.89 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.35 -0.54 . . . . 1.74 111.698 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -126.31 -57.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.827 -0.349 . . . . 3.36 111.796 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -121.6 4.78 10.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 2.34 110.203 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -94.2 116.81 29.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.341 -0.845 . . . . 2.25 111.319 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 pt -106.86 124.55 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.726 -0.67 . . . . 1.13 109.598 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.8 t30 -105.99 131.09 53.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.155 -0.475 . . . . 1.82 111.8 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.63 119.53 33.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.885 -0.598 . . . . 1.37 109.662 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.12 -26.03 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 2.47 111.943 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -143.84 135.06 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.56 . . . . 2.94 111.728 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.58 103.75 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 1.22 109.774 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.05 137.03 9.49 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.323 -0.942 . . . . 0.73 112.784 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.72 132.1 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.404 -0.591 . . . . 1.5 109.404 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t -65.85 137.82 57.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.265 0.555 . . . . 1.94 111.216 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -95.14 -30.8 13.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.275 -0.875 . . . . 3.12 109.066 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.37 -22.36 66.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.075 -0.966 . . . . 3.8 110.049 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.65 -33.11 73.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.481 -0.782 . . . . 4.97 110.38 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.51 -40.32 3.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.948 -0.644 . . . . 3.87 112.491 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.51 93.72 1.67 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.136 -0.554 . . . . 3.78 112.594 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -84.59 147.38 27.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.925 0.393 . . . . 3.86 110.243 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.98 -17.91 8.03 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.594 -0.812 . . . . 1.45 111.591 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.77 -31.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 1.74 110.595 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.01 95.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.949 -0.643 . . . . 0.66 111.999 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -71.09 -34.07 70.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.757 -0.46 . . . . 2.54 109.757 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -70.17 -36.88 75.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.747 -0.66 . . . . 2.91 109.81 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -66.16 -46.64 76.7 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.313 -0.625 . . . . 1.51 109.313 178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 tp -62.41 -34.69 77.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.588 -0.733 . . . . 1.81 109.433 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -61.37 -44.81 96.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.683 -0.69 . . . . 1.98 109.615 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.46 98.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.781 -0.645 . . . . 1.29 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.76 -46.16 97.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 1.18 109.74 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.18 -44.74 99.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.751 -0.659 . . . . 1.11 110.584 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 43.0 mt-10 -59.24 -50.06 75.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 1.76 110.166 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -62.17 -40.37 95.79 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.779 -0.646 . . . . 1.26 110.752 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.645 . . . . 1.23 110.998 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.63 -40.96 89.34 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.052 0.22 . . . . 3.8 111.014 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 45.1 mt-10 -61.72 -27.71 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 1.82 111.484 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -109.24 10.16 25.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.366 -0.379 . . . . 1.51 111.323 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 t30 56.19 34.79 24.58 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.559 0.695 . . . . 2.7 111.415 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -87.32 162.23 17.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.88 -0.6 . . . . 1.26 111.225 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.0 mptt -112.41 137.58 50.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.885 -0.783 . . . . 3.46 108.885 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -109.13 132.49 57.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.323 0.582 . . . . 1.53 112.032 -178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -133.7 161.18 41.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.592 -1.262 . . . . 1.64 107.592 177.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.03 130.8 18.03 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.531 -0.867 . . . . 1.15 113.2 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -94.86 -30.16 14.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.389 -0.967 . . . . 1.25 108.389 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.24 129.54 41.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.779 -1.1 . . . . 1.99 109.752 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -51.5 59.84 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.201 -0.454 . . . . 1.44 112.194 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.437 ' O ' ' HG2' ' A' ' 81' ' ' MET . 76.0 t80 -61.38 -50.31 73.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.654 -0.248 . . . . 1.06 111.244 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.7 96.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.09 0.404 . . . . 1.12 112.09 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -63.13 -43.53 98.13 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.833 -0.432 . . . . 1.76 109.833 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.11 -30.34 70.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.966 -0.561 . . . . 1.41 109.928 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 44.9 mmm -70.75 -49.47 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.91 111.258 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.401 HD11 ' CD1' ' A' ' 92' ' ' TYR . 31.2 mt -68.1 -24.6 65.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.07 -0.514 . . . . 1.23 111.328 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -84.32 -23.22 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 1.76 110.21 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -85.96 -43.75 12.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.932 -0.576 . . . . 2.69 110.573 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.07 94.84 7.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.009 -0.541 . . . . 1.6 110.451 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -16.83 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 2.66 110.89 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -70.3 -7.6 43.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 1.7 111.298 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -113.22 14.71 19.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.824 0.345 . . . . 1.11 110.743 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.21 -17.84 64.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.909 0.337 . . . . 2.77 111.909 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.519 -0.31 . . . . 2.44 111.174 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.2 m -103.34 -32.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.095 -0.242 . . . . 1.51 110.998 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.401 ' CD1' HD11 ' A' ' 82' ' ' LEU . 47.4 t80 -86.52 137.49 32.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.336 . . . . 1.51 110.156 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.93 46.6 0.8 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.336 -0.393 . . . . 2.03 111.368 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.56 -25.6 65.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.992 -0.623 . . . . 3.64 111.557 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 72.69 10.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.107 0.48 . . . . 6.92 110.103 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -81.88 -54.19 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.184 -0.462 . . . . 5.15 111.649 -179.307 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.523 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 29.5 p80 -179.69 -35.17 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.186 0.439 . . . . 6.33 112.186 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -90.81 -40.04 12.02 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.267 -0.573 . . . . 6.29 111.727 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.0 m170 61.7 172.67 0.12 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.198 0.523 . . . . 11.12 112.318 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.9 t60 59.65 -90.92 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.368 -0.833 . . . . 10.85 111.868 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.37 -31.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.762 0.315 . . . . 9.84 110.874 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.605 -0.712 . . . . 13.34 110.045 179.727 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.47 ' CDP' ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.35 0.595 . . . . 7.34 110.099 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -78.86 0.51 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.019 -0.537 . . . . 6.89 110.968 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.525 ' OD1' ' HG2' ' A' ' 5' ' ' GLU . 19.3 t-20 -151.61 154.86 37.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.945 -0.391 . . . . 3.91 109.945 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp -84.56 57.82 4.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.464 . . . . 2.76 110.957 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.525 ' HG2' ' OD1' ' A' ' 3' ' ' ASN . 9.4 mm-40 -91.38 134.35 34.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.11 -0.495 . . . . 2.91 110.435 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -73.58 94.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 1.46 109.644 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.828 ' HZ3' ' HH ' ' A' ' 14' ' ' TYR . 12.0 mmmm -76.39 125.93 30.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.483 -0.78 . . . . 2.65 110.563 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -98.95 120.79 39.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.208 0.528 . . . . 2.52 110.259 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.25 -162.6 13.65 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.768 -0.651 . . . . 1.41 111.59 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.26 91.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.734 0.414 . . . . 3.19 110.971 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 52.63 39.2 27.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.746 -0.661 . . . . 1.87 111.198 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -155.32 156.68 35.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 1.53 110.888 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -122.68 130.02 52.49 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.678 -0.86 . . . . 0.81 108.678 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.828 ' HH ' ' HZ3' ' A' ' 7' ' ' LYS . 14.8 p90 -143.28 151.16 40.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.196 0.522 . . . . 1.27 111.035 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.98 120.64 50.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.652 -0.704 . . . . 1.35 109.201 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.35 172.04 44.44 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.88 -0.676 . . . . 1.52 111.881 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.58 -28.25 62.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 2.62 110.62 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -149.27 165.56 31.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.578 -0.527 . . . . 1.69 109.578 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.41 -29.41 70.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.888 0.375 . . . . 2.72 110.607 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -95.11 4.57 53.53 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.539 0.685 . . . . 2.92 109.909 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -126.63 43.86 3.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.553 -0.749 . . . . 2.81 110.092 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.26 114.03 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.969 -0.559 . . . . 1.59 110.693 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -84.04 -11.27 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.351 0.596 . . . . 1.94 109.486 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.71 128.02 2.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.116 -0.947 . . . . 1.25 108.927 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.11 138.84 23.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.211 0.529 . . . . 1.57 111.967 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -134.04 128.99 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.204 -0.907 . . . . 1.09 109.285 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -117.87 137.74 52.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 1.29 111.574 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -135.75 167.07 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.408 -0.59 . . . . 1.16 109.408 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -161.2 154.97 22.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.818 0.342 . . . . 4.43 111.109 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.12 114.74 21.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.902 -0.777 . . . . 0.92 108.902 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.3 m -90.8 -29.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.24 0.459 . . . . 1.52 112.24 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 10.8 t70 -131.93 -81.28 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.673 -0.411 . . . . 1.74 111.066 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -131.44 -70.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 3.36 111.387 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -110.57 0.07 17.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.205 0.526 . . . . 2.34 110.216 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 15.1 mp0 -84.49 116.48 23.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.686 -0.688 . . . . 2.25 110.999 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 pt -107.39 121.74 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.03 -0.532 . . . . 1.13 109.659 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 9.6 t30 -103.66 125.62 50.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 1.82 111.759 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.71 124.21 40.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.811 -0.811 . . . . 1.37 108.811 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -100.84 -53.56 3.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.169 0.433 . . . . 2.47 112.169 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -112.73 140.53 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.323 0.583 . . . . 2.94 112.035 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -148.8 107.71 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.096 -0.956 . . . . 1.22 108.524 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.33 152.65 22.51 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.208 -0.996 . . . . 0.73 113.104 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.48 125.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.485 -0.561 . . . . 1.5 109.485 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 m -92.88 132.2 37.24 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.208 0.528 . . . . 1.94 110.763 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.28 -8.45 53.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.731 -0.668 . . . . 3.12 111.602 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.5 -20.83 63.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.938 0.399 . . . . 3.8 111.316 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -75.63 -27.04 58.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.17 0.509 . . . . 4.97 110.518 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.15 -50.65 1.31 Allowed Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.36 -0.696 . . . . 3.87 111.36 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.4 144.77 27.28 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.042 -0.599 . . . . 3.78 111.972 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.94 165.42 12.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.212 -0.292 . . . . 3.86 110.212 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.24 10.0 78.68 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.598 -0.81 . . . . 1.45 113.04 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.86 -32.92 53.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 1.74 110.919 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.7 -27.93 67.21 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.857 -0.611 . . . . 0.66 112.289 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -70.07 -32.09 70.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 2.54 110.204 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -73.33 -40.5 64.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.547 -0.538 . . . . 2.91 109.547 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.95 -47.47 77.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.523 -0.762 . . . . 1.51 109.965 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.12 -38.39 88.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.703 -0.681 . . . . 1.81 110.26 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -58.01 -42.94 86.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.239 -0.437 . . . . 1.98 110.308 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.36 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.793 -0.64 . . . . 1.29 110.323 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.35 -46.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.914 -0.402 . . . . 1.18 109.914 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.414 ' HA ' HD11 ' A' ' 71' ' ' ILE . 54.7 t -59.53 -44.68 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.754 -0.657 . . . . 1.11 110.44 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -65.92 -45.62 81.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 1.76 111.025 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.514 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.8 t60 -65.75 -35.75 81.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.785 0.326 . . . . 1.26 111.043 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.72 93.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.155 -0.475 . . . . 1.23 110.134 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 90' ' ' ASP . 27.8 tpt180 -62.18 -37.45 85.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.545 . . . . 3.8 110.546 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.9 mt-10 -63.12 -36.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.82 111.665 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.422 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 38.2 m-80 -103.85 5.52 35.9 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.429 0.529 . . . . 1.51 112.429 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.16 37.27 20.87 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.747 0.784 . . . . 2.7 110.542 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 69.4 mt -83.53 158.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 1.26 110.821 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.6 mptt -104.3 125.15 50.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.827 -0.805 . . . . 3.46 108.827 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.414 HD11 ' HA ' ' A' ' 61' ' ' VAL . 53.8 mt -96.67 125.93 49.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.56 0.695 . . . . 1.53 112.829 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -135.05 153.03 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.444 -1.317 . . . . 1.64 107.444 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.61 141.14 37.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.993 -0.683 . . . . 1.15 112.669 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 m -92.83 -32.23 14.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.322 -0.854 . . . . 1.25 108.923 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -67.18 129.49 40.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.265 -0.88 . . . . 1.99 109.845 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -57.04 -35.18 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.437 -0.347 . . . . 1.44 111.323 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -65.08 -62.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.911 -0.586 . . . . 1.06 111.838 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -58.01 -42.35 85.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 1.12 111.796 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.86 -39.54 89.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 1.76 110.202 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.459 ' HA ' ' HG2' ' A' ' 83' ' ' GLU . 69.3 t60 -69.79 -29.99 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.41 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.57 -35.65 73.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.956 0.408 . . . . 1.91 110.606 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 45.5 mt -72.11 -45.38 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 1.23 111.0 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 26.1 pt-20 -73.22 -19.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 1.76 111.503 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 5.6 ttpp -75.63 -11.4 60.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.522 . . . . 2.69 110.448 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.65 106.66 11.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.997 -0.547 . . . . 1.6 110.39 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.82 -27.14 68.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.518 0.675 . . . . 2.66 110.235 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -79.13 -0.28 31.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.438 -0.801 . . . . 1.7 111.991 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -92.9 4.73 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.947 0.403 . . . . 1.11 110.56 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -70.74 0.92 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 2.77 111.813 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 16.8 p-10 -82.97 -22.66 33.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.193 0.52 . . . . 2.44 109.672 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.414 HG23 HG12 ' A' ' 61' ' ' VAL . 4.9 m -124.64 -31.66 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.566 -0.743 . . . . 1.51 110.529 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -88.39 137.57 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 1.51 109.832 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.09 67.85 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 2.03 111.211 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.46 -17.63 19.05 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.903 -0.665 . . . . 3.64 112.025 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' HA ' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -92.75 79.61 4.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.96 0.41 . . . . 6.92 110.544 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.493 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -94.92 -58.94 2.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.197 -0.456 . . . . 5.15 111.35 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.493 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 24.0 p80 -178.29 -38.67 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.607 0.595 . . . . 6.33 112.607 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -88.4 -40.89 13.17 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.344 -0.542 . . . . 6.29 112.173 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.487 ' NE2' ' HA ' ' A' ' 95' ' ' LEU . 10.3 m80 59.62 -177.5 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.442 0.534 . . . . 11.12 112.442 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 4.2 t60 56.82 -93.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.602 -0.726 . . . . 10.85 111.479 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 3.2 t-80 -154.78 -41.81 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.763 -0.458 . . . . 9.84 109.763 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.242 0.699 0 CA-C-O 118.596 -0.716 . . . . 13.34 109.618 178.878 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.408 H131 ' C6P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 109.895 -0.409 . . . . 7.34 109.895 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -132.92 -72.38 0.51 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.076 0.465 . . . . 6.89 110.508 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -162.99 153.92 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.135 -0.691 . . . . 3.91 109.135 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.93 62.85 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.974 0.416 . . . . 2.76 111.051 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 15' ' ' ILE . 12.2 mm-40 -94.01 145.02 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.604 . . . . 2.91 110.353 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -79.53 97.01 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.188 -0.46 . . . . 1.46 110.855 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 18.9 mmmt -90.99 117.52 29.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 2.65 110.369 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.19 129.05 39.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 2.52 110.046 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.58 -153.14 10.58 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.485 -0.78 . . . . 1.41 111.19 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 89.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.694 0.247 . . . . 3.19 110.349 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.53 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.2 m-80 52.6 44.54 29.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.779 -0.646 . . . . 1.87 110.14 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HZ3' ' CD ' ' A' ' 19' ' ' GLU . 32.2 pttt -154.63 168.81 25.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.821 -0.627 . . . . 1.53 111.376 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.1 119.45 20.99 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.751 -0.833 . . . . 0.81 108.751 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 25.6 p90 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.891 0.377 . . . . 1.27 110.886 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 5' ' ' GLU . 61.6 mt -136.05 131.9 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.804 -0.635 . . . . 1.35 109.736 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.81 -157.0 28.84 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.708 -0.758 . . . . 1.52 112.314 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.84 -35.45 19.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.099 0.476 . . . . 2.62 110.39 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.15 169.45 21.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.477 -0.783 . . . . 1.69 109.517 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' CD ' ' HZ3' ' A' ' 12' ' ' LYS . 3.6 tp10 -55.56 -40.07 71.45 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.241 0.543 . . . . 2.72 110.057 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -87.52 -27.09 22.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.433 0.635 . . . . 2.92 109.739 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.59 44.24 1.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.762 0.791 . . . . 2.81 109.234 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.62 128.17 34.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.98 -1.009 . . . . 1.59 110.286 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.82 -11.76 55.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.143 0.497 . . . . 1.94 110.097 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.68 134.33 4.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.664 -0.698 . . . . 1.25 109.61 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 126.44 12.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 1.57 110.828 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -122.12 120.44 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.475 -0.784 . . . . 1.09 109.324 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.546 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.22 145.49 38.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.005 -0.543 . . . . 1.29 111.365 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -143.54 170.15 16.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.791 -0.64 . . . . 1.16 109.978 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.53 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -152.54 154.55 35.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 4.43 110.301 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.85 103.26 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.302 -0.629 . . . . 0.92 109.302 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.6 m -71.66 -40.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 1.52 112.252 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.431 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 13.9 t70 -125.71 -81.63 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.739 -0.385 . . . . 1.74 111.307 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -134.71 -60.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.117 0.414 . . . . 3.36 112.117 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -111.79 -3.87 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.101 0.477 . . . . 2.34 110.744 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 10.8 mp0 -85.08 117.51 24.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.971 -0.559 . . . . 2.25 111.678 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.53 119.36 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 1.13 109.314 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 12.1 t30 -102.68 119.84 39.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.241 -0.436 . . . . 1.82 111.751 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.68 110.13 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.448 -0.945 . . . . 1.37 108.448 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.13 -30.74 13.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.267 0.469 . . . . 2.47 112.267 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.546 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 65.5 t60 -131.69 126.15 33.87 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.277 -0.569 . . . . 2.94 112.276 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' A' ' 78' ' ' ALA . 1.6 m -133.04 89.31 2.6 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.338 -0.986 . . . . 1.22 108.338 177.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.78 132.98 11.05 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.2 -1.0 . . . . 0.73 113.199 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.67 132.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.678 -0.86 . . . . 1.5 108.678 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -82.19 122.31 27.73 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.086 0.47 . . . . 1.94 110.927 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.95 12.36 37.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.396 0.617 . . . . 3.12 109.94 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.64 -6.66 21.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.572 -0.74 . . . . 3.8 111.191 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.46 9.06 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.249 -0.432 . . . . 4.97 110.201 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.71 -129.23 8.17 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.805 -0.712 . . . . 3.87 112.267 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.15 80.78 0.3 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.094 -0.574 . . . . 3.78 111.677 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -86.6 109.24 19.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.102 0.477 . . . . 3.86 111.485 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.44 32.85 6.7 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 110.984 -0.847 . . . . 1.45 110.984 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.31 -30.3 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.419 -0.391 . . . . 1.74 111.209 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.33 -34.28 73.94 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.005 -0.617 . . . . 0.66 112.287 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -68.29 -41.45 80.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.207 0.527 . . . . 2.54 109.759 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -68.18 -40.09 82.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 2.91 110.244 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 60' ' ' VAL . 30.5 mt -63.25 -46.71 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.76 -0.654 . . . . 1.51 110.768 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' HG21 ' A' ' 61' ' ' VAL . 16.9 tp -63.77 -35.18 79.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.81 110.297 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.52 -43.11 97.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.413 -0.358 . . . . 1.98 110.123 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.07 79.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 1.29 110.177 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 56' ' ' LEU . 81.7 t -66.79 -45.3 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.284 -0.635 . . . . 1.18 109.284 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' HA ' HD13 ' A' ' 71' ' ' ILE . 70.6 t -59.68 -46.08 93.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.685 -0.689 . . . . 1.11 110.105 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 47.9 mt-10 -60.08 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.537 -0.756 . . . . 1.76 110.469 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.504 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.7 t60 -63.04 -36.74 84.57 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.898 -0.592 . . . . 1.26 110.756 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.18 92.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.527 . . . . 1.23 110.085 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.14 -32.45 73.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 3.8 110.817 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 65.4 mt-10 -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.078 -0.51 . . . . 1.82 111.412 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.423 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 41.0 m-80 -108.87 9.4 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.333 -0.394 . . . . 1.51 111.803 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.45 38.11 29.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.581 0.705 . . . . 2.7 110.713 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.7 mt -81.4 159.3 24.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.681 -0.69 . . . . 1.26 110.93 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.1 mptt -106.24 127.9 53.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.869 -0.789 . . . . 3.46 108.869 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 61' ' ' VAL . 51.5 mt -96.33 132.76 39.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 112.851 0.686 . . . . 1.53 112.851 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.0 pt -143.87 157.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.204 -1.406 . . . . 1.64 107.204 177.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.73 134.01 14.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.718 -0.793 . . . . 1.15 112.607 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -25.15 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.917 -0.771 . . . . 1.25 108.917 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.76 121.39 18.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.276 -0.875 . . . . 1.99 109.26 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -55.24 -38.95 69.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.296 0.48 . . . . 1.44 112.296 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.37 -55.85 24.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 1.06 111.07 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.416 ' HB3' ' OG1' ' A' ' 41' ' ' THR . . . -63.73 -42.48 97.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.261 -0.427 . . . . 1.12 111.257 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 13.1 tmtt? -60.27 -47.05 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 1.76 110.642 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -67.94 -29.78 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.303 -0.408 . . . . 1.41 111.632 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tpp -63.39 -38.08 89.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.389 -0.597 . . . . 1.91 109.389 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 92' ' ' TYR . 11.4 mt -72.78 -33.32 66.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.515 -0.766 . . . . 1.23 110.328 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.4 mt-10 -69.99 -29.2 66.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.507 0.67 . . . . 1.76 109.918 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.85 -24.01 55.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.084 -0.962 . . . . 2.69 111.149 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -111.85 97.4 6.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.223 0.535 . . . . 1.6 111.167 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.33 -29.2 70.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.455 -0.793 . . . . 2.66 110.725 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -11.89 61.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 1.7 111.68 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -95.26 2.27 54.79 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.641 0.258 . . . . 1.11 111.127 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.32 3.71 10.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.776 0.322 . . . . 2.77 111.524 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -77.96 -25.62 48.3 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.625 -0.509 . . . . 2.44 109.625 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 m -118.56 -29.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.571 -0.741 . . . . 1.51 110.134 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.536 ' CD1' HD12 ' A' ' 82' ' ' LEU . 55.2 t80 -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.638 -0.504 . . . . 1.51 109.638 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.36 67.87 4.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.043 0.449 . . . . 2.03 110.738 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -104.6 -27.96 5.87 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.981 -0.628 . . . . 3.64 111.747 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 86.0 7.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.087 0.47 . . . . 6.92 110.153 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.58 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -89.1 -54.87 3.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.999 -0.546 . . . . 5.15 111.18 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.58 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 21.6 p80 -179.93 -39.57 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.268 0.47 . . . . 6.33 112.268 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -87.04 -37.72 17.2 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.508 -0.477 . . . . 6.29 112.127 -177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.9 m80 61.27 -178.5 0.11 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.288 0.566 . . . . 11.12 112.214 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.1 t60 59.47 -91.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.388 -0.823 . . . . 10.85 112.743 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -158.26 -66.84 0.09 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 112.348 0.499 . . . . 9.84 112.348 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.395 -0.812 . . . . 13.34 110.522 -179.217 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.73 0.3 . . . . 7.34 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -82.86 59.34 4.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.115 0.483 . . . . 6.89 110.105 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -99.93 -176.37 3.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.901 -0.59 . . . . 3.91 109.567 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp 60.92 28.64 18.41 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.157 0.503 . . . . 2.76 110.765 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -76.79 162.85 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 2.91 109.694 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mt -75.2 96.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.182 0.515 . . . . 1.46 110.156 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -80.72 124.26 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.617 -0.719 . . . . 2.65 110.129 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.17 143.2 39.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.232 0.539 . . . . 2.52 110.753 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.39 -168.46 12.17 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.631 -0.713 . . . . 1.41 111.337 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -65.8 94.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.841 0.353 . . . . 3.19 111.087 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.41 33.49 22.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.53 -0.759 . . . . 1.87 110.6 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 38.6 pttt -159.72 -179.41 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.53 111.44 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -135.89 141.28 44.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.427 -0.953 . . . . 0.81 108.427 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -152.02 163.04 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.274 0.559 . . . . 1.27 111.679 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.3 mt -131.53 126.76 58.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.447 -0.797 . . . . 1.35 109.577 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.29 174.37 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.582 -0.818 . . . . 1.52 112.543 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.67 -58.38 7.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 2.62 110.8 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -135.19 164.15 28.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.106 -0.702 . . . . 1.69 109.106 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.16 -33.96 76.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.599 0.222 . . . . 2.72 111.599 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -68.72 -41.42 79.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.25 0.548 . . . . 2.92 109.768 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.74 35.94 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 2.81 110.053 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.25 132.43 49.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 1.59 111.159 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.06 -41.58 64.0 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.964 -0.754 . . . . 1.94 108.964 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.84 148.01 20.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.174 -0.921 . . . . 1.25 110.416 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -150.57 149.36 29.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.02 0.438 . . . . 1.57 110.686 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 15.1 tt -135.82 127.01 44.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.075 -0.713 . . . . 1.09 109.075 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.9 p -108.98 142.73 39.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.722 0.296 . . . . 1.29 111.462 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.4 p90 -135.12 150.98 50.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.887 -0.412 . . . . 1.16 109.887 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -139.79 156.2 46.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.915 0.388 . . . . 4.43 110.577 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -88.73 106.27 18.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.115 -0.493 . . . . 0.92 110.156 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -81.65 -24.97 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 1.52 110.644 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -136.6 -97.09 0.22 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 1.74 109.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -149.34 -49.74 0.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.39 -0.596 . . . . 3.36 109.39 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 69' ' ' LEU . 2.8 t30 -107.24 17.01 23.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 2.34 109.545 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -131.5 126.13 34.17 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.468 -0.787 . . . . 2.25 110.167 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -122.08 139.21 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 1.13 110.473 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 p-10 -111.94 142.37 44.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.208 -0.451 . . . . 1.82 111.272 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.55 105.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.755 -1.202 . . . . 1.37 107.755 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -60.06 -69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 2.47 111.614 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 10.4 p-80 -137.16 147.79 46.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.027 0.441 . . . . 2.94 111.165 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -118.93 129.86 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.545 -0.752 . . . . 1.22 109.914 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -140.32 104.09 0.39 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.448 -0.882 . . . . 0.73 111.821 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 44' ' ' SER . 5.2 t -117.7 159.46 17.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 110.275 -0.268 . . . . 1.5 110.275 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.407 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -61.03 129.37 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.94 110.977 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.31 -25.12 63.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.895 -0.593 . . . . 3.12 110.854 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -75.25 61.67 1.19 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.997 0.427 . . . . 3.8 111.672 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 50' ' ' GLN . 26.4 mt 64.13 16.26 9.88 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.619 -0.719 . . . . 4.97 111.683 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.62 -28.98 72.8 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.624 -0.798 . . . . 3.87 111.666 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.87 7.29 51.58 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.891 -0.671 . . . . 3.78 112.453 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.5 mm100 -91.52 -31.21 16.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.833 0.349 . . . . 3.86 110.699 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.46 -52.27 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.611 -0.804 . . . . 1.45 112.189 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.39 -49.85 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.919 0.39 . . . . 1.74 111.438 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.34 99.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.66 112.755 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -68.71 -28.37 66.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 2.54 110.077 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.79 -39.75 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 2.91 110.262 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.889 -0.596 . . . . 1.51 110.185 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.52 -37.7 84.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 1.81 109.813 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.64 -41.5 97.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.33 -0.85 . . . . 1.98 110.751 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.96 90.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.46 . . . . 1.29 111.345 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.7 t -61.75 -47.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 1.18 110.672 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.433 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 58.6 t -66.7 -34.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 1.11 111.064 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -57.2 -53.48 57.64 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.946 0.403 . . . . 1.76 110.119 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.498 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 27.3 t60 -65.23 -28.95 69.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.981 -0.554 . . . . 1.26 109.994 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.58 -28.15 66.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.681 -0.691 . . . . 1.23 110.605 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 30.8 mmt180 -76.39 -32.54 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 3.8 110.109 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.498 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 41.5 mt-10 -66.99 -51.47 54.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.645 -0.707 . . . . 1.82 111.375 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 4.5 m120 -92.47 -10.7 36.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.509 . . . . 1.51 112.18 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 60.67 63.62 1.3 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.187 0.518 . . . . 2.7 109.869 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 mt -105.02 165.72 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.629 -0.714 . . . . 1.26 111.282 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -90.09 133.68 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.205 -0.665 . . . . 3.46 109.205 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 48.3 mm -109.6 122.16 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.966 0.413 . . . . 1.53 111.753 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -132.53 146.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.379 -0.971 . . . . 1.64 108.379 177.379 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.64 54.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.952 0.406 . . . . 1.15 111.87 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -84.88 -35.69 22.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.844 -0.616 . . . . 1.25 109.58 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -74.64 130.86 40.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.451 -0.795 . . . . 1.99 110.062 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.8 m -60.29 -35.82 76.44 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.777 0.288 . . . . 1.44 111.777 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' MET . 12.0 t80 -63.22 -57.25 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.627 -0.261 . . . . 1.06 110.586 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.53 79.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.425 . . . . 1.12 110.861 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.528 ' HZ3' ' HH ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.82 -0.627 . . . . 1.76 110.134 179.251 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -74.61 -26.75 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 1.41 111.163 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 91.7 mtp -63.22 -47.34 82.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 1.91 110.129 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.25 -30.8 63.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.346 0.593 . . . . 1.23 109.969 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.39 -22.73 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.141 -0.936 . . . . 1.76 110.898 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.36 -15.48 56.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 2.69 111.764 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -120.08 119.25 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.076 -0.39 . . . . 1.6 111.659 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 2.66 110.289 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 m -62.54 -36.15 81.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.643 -0.708 . . . . 1.7 110.933 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 6.2 m-30 -72.8 -23.17 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 1.11 111.12 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.1 -7.8 19.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.364 -0.38 . . . . 2.77 111.97 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -63.66 -43.57 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.992 -0.744 . . . . 2.44 108.992 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 m -104.98 -37.03 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.126 -0.943 . . . . 1.51 110.459 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' HH ' ' HZ3' ' A' ' 79' ' ' LYS . 2.8 t80 -75.84 135.58 40.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 1.51 109.742 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.4 mt -76.86 81.93 3.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.386 0.612 . . . . 2.03 111.156 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.71 4.13 56.31 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.47 -0.786 . . . . 3.64 112.167 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 96' ' ' GLU . 0.9 OUTLIER -61.48 -36.53 80.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 6.92 110.443 179.626 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 95' ' ' LEU . 20.6 mm-40 -84.05 105.15 14.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.892 -0.411 . . . . 5.15 109.892 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -129.99 30.98 4.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.969 -0.56 . . . . 6.33 110.161 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -67.89 116.92 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 6.29 110.28 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.2 t60 73.68 94.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 124.131 0.894 . . . . 11.12 111.237 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -128.66 72.48 1.45 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.568 -0.742 . . . . 10.85 109.329 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -116.0 76.51 1.02 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.856 -0.611 . . . . 9.84 110.155 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 118.571 -0.728 . . . . 13.34 110.57 -179.512 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.403 H143 ' O9P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.259 -0.275 . . . . 7.34 110.259 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 p -153.27 -77.73 0.11 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 6.89 110.589 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -148.05 139.25 23.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.931 -0.577 . . . . 3.91 109.556 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.52 71.39 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.072 0.463 . . . . 2.76 111.171 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -92.61 143.59 26.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.869 -0.605 . . . . 2.91 109.912 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -75.04 95.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.194 0.521 . . . . 1.46 110.257 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.616 ' HZ1' ' HH ' ' A' ' 14' ' ' TYR . 6.1 mmmm -87.04 130.52 34.44 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.726 -0.67 . . . . 2.65 110.226 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -108.84 144.79 36.25 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.16 0.505 . . . . 2.52 110.201 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.81 -155.04 8.29 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.21 -0.756 . . . . 1.41 111.21 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.33 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.323 -0.251 . . . . 3.19 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.455 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 42.7 m-80 53.44 42.46 31.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.621 -0.718 . . . . 1.87 109.888 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -150.15 164.13 36.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 1.53 111.312 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -131.51 137.15 48.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.97 -1.122 . . . . 0.81 107.97 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.616 ' HH ' ' HZ1' ' A' ' 7' ' ' LYS . 5.1 p90 -156.41 156.44 33.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.283 0.563 . . . . 1.27 111.86 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.8 mt -136.27 124.95 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.183 -0.917 . . . . 1.35 108.902 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.8 173.85 46.37 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.366 -0.921 . . . . 1.52 112.468 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.58 -33.66 74.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 2.62 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -149.37 170.49 18.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.614 -0.721 . . . . 1.69 109.195 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.36 -40.97 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 2.72 110.237 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -85.0 -19.79 31.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 2.92 110.239 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.42 41.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.763 -0.653 . . . . 2.81 109.926 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.24 111.52 8.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.743 -0.662 . . . . 1.59 110.548 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.57 -32.67 64.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.442 0.639 . . . . 1.94 109.317 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.59 129.75 18.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.06 -0.973 . . . . 1.25 109.195 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.79 131.08 19.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.968 0.414 . . . . 1.57 111.023 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -128.11 119.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.648 -0.705 . . . . 1.09 109.286 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.48 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.62 144.98 40.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 1.29 111.304 -179.285 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -143.72 175.83 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.778 -0.647 . . . . 1.16 109.842 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -160.61 151.7 18.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.76 0.314 . . . . 4.43 110.94 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -82.89 104.38 13.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.63 -0.878 . . . . 0.92 108.63 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.57 -16.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.565 0.58 . . . . 1.52 112.565 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -139.47 -90.63 0.19 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.826 -0.35 . . . . 1.74 110.842 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -128.74 -60.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.276 -0.265 . . . . 3.36 111.191 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -115.95 -3.61 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 2.34 110.543 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -84.55 120.61 26.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.633 -0.712 . . . . 2.25 111.16 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 pt -109.49 117.86 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 1.13 109.856 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 22.6 t30 -94.13 122.87 37.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 1.82 111.587 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.7 mt -100.75 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.676 -0.861 . . . . 1.37 108.676 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' C ' ' HB2' ' A' ' 75' ' ' CYS . 14.6 t70 -114.63 -18.98 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.132 0.419 . . . . 2.47 112.132 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 38.8 t60 -121.65 127.47 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.51 . . . . 2.94 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.03 109.88 4.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.577 -0.738 . . . . 1.22 109.857 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.42 133.39 10.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.8 -0.714 . . . . 0.73 111.865 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 123.84 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.337 -0.246 . . . . 1.5 110.337 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -81.13 112.16 18.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.649 -0.5 . . . . 1.94 109.649 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.542 ' HA ' HE22 ' A' ' 50' ' ' GLN . 6.3 p-10 -88.13 -18.14 29.46 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.973 -0.558 . . . . 3.12 110.906 -179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -73.33 -13.43 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.977 0.418 . . . . 3.8 110.171 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tp -76.63 -37.71 55.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.757 -0.656 . . . . 4.97 110.449 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.5 -15.99 34.87 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.838 -0.619 . . . . 3.87 111.626 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.2 91.15 1.7 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.066 -0.587 . . . . 3.78 112.368 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.542 HE22 ' HA ' ' A' ' 45' ' ' ASP . 1.3 mp0 -84.68 -26.66 27.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.849 0.357 . . . . 3.86 110.954 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.51 -12.31 83.88 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.614 -0.803 . . . . 1.45 112.289 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.02 -43.84 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 1.74 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.69 88.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.85 -0.691 . . . . 0.66 111.74 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -71.32 -34.22 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 2.54 110.368 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -61.06 -42.41 98.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.841 -0.618 . . . . 2.91 110.237 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.5 mt -69.11 -44.11 73.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.566 . . . . 1.51 110.65 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.9 tp -61.02 -42.14 97.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 1.81 110.125 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.89 -41.45 96.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 1.98 110.216 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.89 97.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 1.29 110.605 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.47 -47.78 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.18 109.999 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.66 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.589 . . . . 1.11 110.742 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.3 mt-10 -62.56 -45.79 91.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.099 -0.5 . . . . 1.76 110.841 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.1 t60 -65.33 -33.59 76.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 1.26 110.372 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.72 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 1.23 109.663 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -62.68 -34.51 77.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 3.8 110.173 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 57.9 mt-10 -63.97 -34.7 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 1.82 112.0 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -114.52 11.38 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.771 0.656 . . . . 1.51 112.771 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 t30 58.72 43.99 17.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.409 0.623 . . . . 2.7 111.028 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -89.26 158.54 17.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 1.26 110.347 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.3 mptt -111.25 125.79 54.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.661 . . . . 3.46 109.217 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.7 mt -97.9 129.13 48.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.285 0.564 . . . . 1.53 112.439 -178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -127.83 122.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.966 -1.124 . . . . 1.64 107.966 177.191 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.52 109.38 19.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.226 0.454 . . . . 1.15 112.226 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -91.49 -20.3 21.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.848 -0.797 . . . . 1.25 108.848 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.467 ' HB2' ' C ' ' A' ' 39' ' ' ASP . 5.6 t -62.29 132.67 53.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.147 -0.933 . . . . 1.99 110.096 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -35.68 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.38 0.425 . . . . 1.44 111.995 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -80.64 -54.99 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.279 . . . . 1.06 111.132 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.11 -38.11 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 1.12 111.847 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.18 -52.38 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 1.76 110.315 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.69 -32.2 73.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.294 -0.412 . . . . 1.41 110.989 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 64.3 mmm -62.23 -57.44 11.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 1.91 111.011 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.447 HD13 ' CD1' ' A' ' 92' ' ' TYR . 4.8 mt -71.46 -16.82 62.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.952 -0.567 . . . . 1.23 110.811 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.49 -36.18 65.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.719 . . . . 1.76 109.23 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -82.19 -44.59 16.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.235 -0.893 . . . . 2.69 109.572 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 90.0 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.725 -0.67 . . . . 1.6 111.237 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.86 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.461 -0.791 . . . . 2.66 110.825 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -22.43 66.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.818 -0.628 . . . . 1.7 111.825 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -92.25 -5.44 52.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.666 0.269 . . . . 1.11 111.197 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -80.08 17.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.102 0.477 . . . . 2.77 111.613 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.72 -32.04 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.696 -0.853 . . . . 2.44 108.696 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.96 -20.09 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.54 -0.754 . . . . 1.51 109.849 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.447 ' CD1' HD13 ' A' ' 82' ' ' LEU . 41.8 t80 -87.94 135.76 33.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 1.51 109.617 178.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.7 mt -80.66 83.39 6.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.253 0.549 . . . . 2.03 110.918 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -132.19 19.34 4.61 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.474 -0.785 . . . . 3.64 111.481 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.96 34.25 5.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.535 0.683 . . . . 6.92 109.343 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -55.57 -63.06 1.29 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.063 -0.971 . . . . 5.15 111.932 -178.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.519 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 24.9 p80 -175.0 -37.75 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.445 0.535 . . . . 6.33 112.445 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -80.19 -43.55 21.34 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.554 -0.459 . . . . 6.29 111.662 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 m80 59.54 173.77 0.08 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.28 0.562 . . . . 11.12 112.409 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 60.93 -88.39 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.406 -0.815 . . . . 10.85 112.666 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -158.02 -55.34 0.07 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.614 0.245 . . . . 9.84 110.829 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.532 -0.747 . . . . 13.34 110.233 179.718 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.422 ' N8P' ' CDP' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.943 -0.392 . . . . 7.34 109.943 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -76.56 76.21 3.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.31 0.576 . . . . 6.89 110.996 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.62 -176.18 3.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.74 -0.664 . . . . 3.91 109.833 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tp 58.76 36.6 24.91 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.499 0.666 . . . . 2.76 110.253 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.2 168.57 11.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.431 -0.804 . . . . 2.91 110.79 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -72.79 101.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.902 -0.59 . . . . 1.46 109.707 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -86.73 119.99 27.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.939 -0.393 . . . . 2.65 109.939 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.8 150.42 47.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 2.52 110.925 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.97 17.7 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.324 -0.853 . . . . 1.41 111.112 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -67.47 96.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.9 0.381 . . . . 3.19 110.761 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 32.34 20.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 1.87 111.0 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -161.96 173.74 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.363 0.602 . . . . 1.53 111.946 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -133.04 130.49 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.98 -1.009 . . . . 0.81 108.34 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -137.18 159.85 40.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.393 0.616 . . . . 1.27 111.76 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -130.98 120.93 48.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.358 -0.837 . . . . 1.35 109.713 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.57 176.9 28.26 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.664 -0.575 . . . . 1.52 111.664 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.07 -57.85 6.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.894 0.378 . . . . 2.62 110.632 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -135.57 166.31 23.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.754 -0.657 . . . . 1.69 109.66 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.67 -23.95 65.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 2.72 110.49 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.52 -22.23 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.347 0.594 . . . . 2.92 109.907 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -137.11 63.39 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.682 -0.69 . . . . 2.81 109.793 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 144.98 25.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 1.59 110.418 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.9 mt -87.48 -22.96 24.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 1.94 110.135 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -169.71 145.7 3.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.775 -0.648 . . . . 1.25 111.085 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.13 137.32 12.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.18 0.514 . . . . 1.57 110.635 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 tt -122.85 132.33 71.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.645 -0.707 . . . . 1.09 109.479 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.6 p -113.58 141.76 46.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.727 0.299 . . . . 1.29 110.988 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -133.42 149.44 51.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.55 -0.537 . . . . 1.16 109.55 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -136.48 159.67 41.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.927 0.394 . . . . 4.43 110.749 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -97.31 109.2 22.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.005 -0.543 . . . . 0.92 110.322 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.87 -32.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.945 0.402 . . . . 1.52 111.176 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -135.69 -84.04 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 1.74 110.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -152.51 -57.64 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.137 0.494 . . . . 3.36 110.521 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.97 17.26 23.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 2.34 110.361 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -127.77 126.39 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.514 . . . . 2.25 109.807 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.3 pt -120.56 135.09 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.186 0.517 . . . . 1.13 110.462 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 p-10 -113.34 140.79 47.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 1.82 110.598 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -83.64 113.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 1.37 109.534 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.37 -56.73 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 2.47 110.398 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.661 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 8.1 p-80 -156.59 160.31 39.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 2.94 111.496 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -134.33 96.82 3.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.426 -0.806 . . . . 1.22 109.458 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -103.25 116.17 5.37 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.624 -0.798 . . . . 0.73 112.707 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.9 t -126.87 136.85 59.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.151 -0.314 . . . . 1.5 110.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -79.26 95.45 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.679 0.752 . . . . 1.94 109.668 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.95 -20.08 59.84 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.963 -1.017 . . . . 3.12 111.241 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.8 66.32 3.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 3.8 111.375 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.7 mt 55.59 35.19 24.69 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.768 -0.651 . . . . 4.97 111.827 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.21 -67.38 0.7 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.556 -0.83 . . . . 3.87 111.617 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.57 98.18 0.4 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 121.074 -0.584 . . . . 3.78 111.812 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -98.79 125.76 44.24 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.673 -0.31 . . . . 3.86 110.573 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.31 -26.51 15.1 Favored Glycine 0 CA--C 1.517 0.219 0 C-N-CA 121.119 -0.562 . . . . 1.45 112.672 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.81 -25.63 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.888 0.329 . . . . 1.74 111.888 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.11 96.57 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.895 -0.669 . . . . 0.66 111.782 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -75.74 -36.89 59.78 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.93 0.395 . . . . 2.54 110.05 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.91 -44.8 95.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.697 -0.683 . . . . 2.91 111.174 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.09 -44.25 80.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 1.51 111.405 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD21 ' SD ' ' A' ' 81' ' ' MET . 34.8 tp -62.61 -37.48 86.42 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.693 -0.484 . . . . 1.81 109.693 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.63 -36.31 83.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.784 -0.644 . . . . 1.98 110.669 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.15 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.54 . . . . 1.29 110.311 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.89 -47.87 66.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.621 -0.718 . . . . 1.18 110.528 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.24 -42.82 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 1.11 111.473 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.0 tt0 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.76 110.11 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -63.41 -33.14 74.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.06 -0.518 . . . . 1.26 109.679 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.42 -35.93 78.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.594 -0.73 . . . . 1.23 110.097 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -66.56 -41.14 89.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.585 -0.524 . . . . 3.8 109.585 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 35.2 mt-10 -60.93 -55.77 29.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.924 -0.58 . . . . 1.82 111.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.02 -1.67 53.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 1.51 112.443 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 59.44 39.75 21.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.048 0.451 . . . . 2.7 110.638 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.53 159.99 21.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.152 -0.476 . . . . 1.26 111.047 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -91.98 138.86 31.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.009 -0.738 . . . . 3.46 109.009 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.401 HG23 HD12 ' A' ' 71' ' ' ILE . 30.5 mm -107.61 130.14 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.548 . . . . 1.53 112.358 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -143.31 158.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.034 -1.098 . . . . 1.64 108.034 177.381 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.34 35.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.958 -0.464 . . . . 1.15 111.936 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 m -85.55 -40.26 16.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 1.25 110.16 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 85.0 m -74.35 129.83 38.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.524 . . . . 1.99 110.972 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -32.86 69.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.062 -0.517 . . . . 1.44 111.224 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.83 -59.67 5.01 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.726 0.298 . . . . 1.06 110.447 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.89 85.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 1.12 110.759 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HZ1' ' HH ' ' A' ' 92' ' ' TYR . 34.5 tttm -61.74 -50.17 73.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 1.76 110.107 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -63.19 -31.57 72.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 1.41 110.04 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.413 ' SD ' HD21 ' A' ' 57' ' ' LEU . 25.9 ttt -66.36 -41.81 88.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.91 110.071 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.61 -31.38 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.742 -0.663 . . . . 1.23 110.417 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 41.8 mt-10 -78.71 -31.74 46.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 1.76 110.812 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -73.64 -48.04 35.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 2.69 110.087 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.52 92.32 8.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.174 -0.676 . . . . 1.6 109.174 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.56 -9.64 4.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.579 -0.737 . . . . 2.66 112.09 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.89 -22.27 66.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.792 0.33 . . . . 1.7 110.973 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -99.85 0.59 41.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.683 0.278 . . . . 1.11 110.715 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.21 -15.92 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 2.77 111.882 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -67.77 -37.45 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 2.44 110.579 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.11 -26.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 1.51 111.269 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.448 ' HH ' ' HZ1' ' A' ' 79' ' ' LYS . 72.9 t80 -76.01 147.06 39.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.678 -0.49 . . . . 1.51 109.678 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.7 mt -76.82 67.52 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 2.03 110.793 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -83.37 4.31 81.84 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.938 -0.573 . . . . 3.64 112.289 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -30.24 65.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.077 0.465 . . . . 6.92 110.339 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -101.77 121.38 41.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 5.15 110.189 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -155.03 39.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.929 -0.578 . . . . 6.33 110.116 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -61.16 123.43 17.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 6.29 110.566 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.4 t60 62.68 70.61 0.55 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.796 0.685 . . . . 11.12 110.909 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -100.99 82.54 2.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.676 -0.693 . . . . 10.85 109.814 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -141.23 99.54 3.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.962 -0.563 . . . . 9.84 110.902 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.554 -0.736 . . . . 13.34 109.725 179.592 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.521 ' P2A' H143 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.721 0.296 . . . . 7.34 110.321 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -85.61 58.55 5.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.33 0.586 . . . . 6.89 110.356 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -116.16 152.82 32.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.638 -0.71 . . . . 3.91 110.634 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.82 -104.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.181 -0.463 . . . . 2.76 110.133 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 66.22 133.88 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.781 0.676 . . . . 2.91 111.63 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.1 mt -80.39 99.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 1.46 109.804 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -89.19 138.66 31.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 2.65 109.627 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -112.49 135.5 53.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.039 0.447 . . . . 2.52 110.267 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.4 151.42 12.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.843 -0.617 . . . . 1.41 111.729 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 41.99 43.46 2.69 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.047 0.939 . . . . 3.19 112.75 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 54.3 m-80 58.55 47.28 13.58 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.303 0.573 . . . . 1.87 110.486 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -154.1 132.76 12.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.609 -0.723 . . . . 1.53 111.302 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -103.33 118.71 37.38 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.81 107.512 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -134.26 146.05 49.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.308 0.575 . . . . 1.27 112.26 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.7 mt -110.63 119.64 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.115 -0.948 . . . . 1.35 109.423 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.49 165.79 26.47 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.675 -0.774 . . . . 1.52 112.093 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -75.65 -32.27 60.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 2.62 110.548 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 1.2 t70 -136.89 151.65 49.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.69 110.266 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.7 -48.47 66.58 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.536 0.569 . . . . 2.72 112.536 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.01 -26.08 60.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.288 0.566 . . . . 2.92 110.559 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 22.9 m-80 -94.73 29.98 2.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.624 -0.716 . . . . 2.81 110.78 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.1 115.82 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.001 -0.545 . . . . 1.59 110.163 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.079 -0.51 . . . . 1.94 109.945 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -152.03 136.14 16.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.902 -0.59 . . . . 1.25 110.185 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -147.47 145.61 29.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.194 0.521 . . . . 1.57 111.275 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -130.05 131.4 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.46 -0.941 . . . . 1.09 108.46 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.0 p -112.71 140.92 47.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.794 0.33 . . . . 1.29 111.695 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.466 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 39.6 p90 -145.18 147.39 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 1.16 109.719 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 29' ' ' ARG . 48.3 mtm180 -129.12 144.28 51.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.716 0.293 . . . . 4.43 111.042 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.837 -0.62 . . . . 0.92 109.419 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -79.32 -31.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.916 -0.584 . . . . 1.52 111.915 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -148.11 47.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 1.74 111.283 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.7 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.228 0.611 . . . . 3.36 112.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 5.5 m120 -82.22 28.59 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.122 0.487 . . . . 2.34 111.253 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -151.87 120.24 6.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.646 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 pt -116.33 134.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.24 0.543 . . . . 1.13 111.005 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.3 t30 -103.95 120.39 40.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.618 -0.719 . . . . 1.82 110.53 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.414 HG22 ' SG ' ' A' ' 75' ' ' CYS . 94.3 mt -81.01 119.63 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.293 -0.632 . . . . 1.37 109.293 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.55 -63.8 1.26 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.581 -0.736 . . . . 2.47 111.867 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -144.66 165.85 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 2.94 112.176 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -137.98 107.09 6.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.977 -1.01 . . . . 1.22 109.077 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.62 123.34 6.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.73 112.236 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.59 133.69 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.655 0.264 . . . . 1.5 110.491 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -94.69 117.44 30.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 1.94 110.241 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -136.11 110.78 8.65 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.907 -0.588 . . . . 3.12 110.363 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.01 15.05 17.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.45 0.643 . . . . 3.8 109.613 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.4 mt -114.3 -45.43 3.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.536 -0.756 . . . . 4.97 110.449 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.7 58.38 0.6 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.838 -0.619 . . . . 3.87 111.728 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.05 25.59 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.569 -0.824 . . . . 3.78 112.876 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -86.3 93.09 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.75 -0.463 . . . . 3.86 109.75 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.38 45.76 2.9 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.951 -0.642 . . . . 1.45 113.016 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.4 t -69.88 -38.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 1.74 110.043 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.89 -28.82 73.28 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.66 112.097 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' HE2' ' O7A' ' A' ' 103' ' ' ACO . 9.6 mttm -66.55 -37.49 85.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.028 -0.36 . . . . 2.54 110.028 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.42 -40.66 81.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.119 0.485 . . . . 2.91 110.193 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.07 -49.99 72.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 1.51 110.662 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 tp -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 1.81 110.329 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -47.67 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.98 109.876 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.0 96.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 1.29 110.575 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.41 -52.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.951 -0.568 . . . . 1.18 110.843 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.422 HG12 ' CD1' ' A' ' 88' ' ' TYR . 69.2 t -61.36 -45.19 99.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.204 -0.453 . . . . 1.11 110.746 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 30.0 tt0 -58.46 -52.57 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.818 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.35 -40.72 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 1.26 110.8 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.34 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 1.23 110.803 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -61.03 -36.83 80.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.336 -0.393 . . . . 3.8 111.171 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.7 mt-10 -65.53 -29.11 69.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 1.82 111.513 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -107.46 13.1 27.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 1.51 111.619 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 55.48 38.17 29.88 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.381 0.61 . . . . 2.7 111.238 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 34' ' ' ASN . 31.6 mt -92.0 143.57 26.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.015 -0.539 . . . . 1.26 109.911 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' HB3' HD21 ' A' ' 93' ' ' LEU . 26.4 mtmt -94.18 146.59 23.89 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.19 -0.67 . . . . 3.46 109.19 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -116.24 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 112.85 0.685 . . . . 1.53 112.85 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.2 pt -126.63 104.81 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.959 -1.019 . . . . 1.64 109.035 177.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.23 39.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.811 0.339 . . . . 1.15 111.594 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 m -87.26 -21.07 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.215 0.531 . . . . 1.25 110.13 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.414 ' SG ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -79.04 127.5 32.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 1.99 109.682 179.297 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.71 -38.28 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 1.44 111.815 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.14 -55.78 16.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 1.06 111.158 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 1.12 111.311 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -62.47 -41.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.76 110.225 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.64 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 1.41 110.542 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 84.1 mtp -68.99 -37.99 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 1.91 110.298 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.759 -0.655 . . . . 1.23 111.621 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -76.63 -26.34 54.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.46 -0.336 . . . . 1.76 111.239 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -69.17 -34.29 74.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 2.69 111.247 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -96.45 119.33 34.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.052 0.454 . . . . 1.6 111.004 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.76 -37.87 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.565 -0.743 . . . . 2.66 111.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -69.7 -25.53 63.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.142 -0.481 . . . . 1.7 111.75 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CD1' HG12 ' A' ' 61' ' ' VAL . 11.9 m-30 -84.92 -18.11 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.42 . . . . 1.11 110.498 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.31 -10.14 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 2.77 111.332 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.63 -41.23 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 2.44 110.504 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.47 -25.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 1.51 110.936 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -76.16 130.32 38.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.51 110.359 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 70' ' ' LYS . 1.8 pt? -123.24 -35.87 2.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.102 -0.499 . . . . 2.03 110.355 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.64 -122.17 24.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.09 -0.576 . . . . 3.64 112.464 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.74 131.13 52.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 6.92 110.489 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -68.43 -41.58 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.729 -0.669 . . . . 5.15 110.689 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -133.71 148.21 51.43 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.485 -0.78 . . . . 6.33 109.303 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.61 110.99 1.1 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 6.29 110.166 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -109.32 143.49 38.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.301 -0.408 . . . . 11.12 110.908 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -81.32 136.03 35.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.088 -0.708 . . . . 10.85 109.088 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -64.97 161.91 17.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 9.84 111.285 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.707 -0.663 . . . . 13.34 110.343 -179.654 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ACO . . . . . 0.499 ' O7A' ' C4B' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.852 -0.425 . . . . 2.9100000000000001 109.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.82 103.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 1.0 110.573 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.9 mmmm -86.87 135.34 33.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.825 -0.625 . . . . 2.23 109.705 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.0 138.42 38.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.234 0.54 . . . . 2.52 110.296 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.93 -160.35 10.26 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 110.871 -0.892 . . . . 1.04 110.871 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.18 89.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.188 -0.301 . . . . 3.1899999999999999 110.188 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 52.64 44.99 29.5 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.541 -0.754 . . . . 1.3799999999999999 110.143 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.426 ' CB ' HG22 ' A' ' 27' ' ' THR . 35.1 pttt -155.1 166.54 33.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.93999999999999995 111.258 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -128.77 135.9 49.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.835 -0.802 . . . . 0.68999999999999995 108.835 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 12.2 p90 -150.93 155.28 38.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.126 0.489 . . . . 1.1599999999999999 111.0 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 131.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.92000000000000004 109.287 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.68 -160.6 31.73 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.489 -0.862 . . . . 1.52 112.532 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.15 -38.46 16.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 2.6200000000000001 110.433 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -150.06 168.46 23.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.451 -0.795 . . . . 1.6000000000000001 109.149 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.87 -42.74 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 2.7200000000000002 110.459 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -78.4 -38.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.765 -0.652 . . . . 2.9199999999999999 110.649 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.37 44.38 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.742 -0.663 . . . . 2.4500000000000002 110.689 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.68 41.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.402 -0.817 . . . . 1.1899999999999999 110.066 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -83.88 -38.46 21.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.211 0.529 . . . . 1.3899999999999999 109.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.37 127.47 17.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.755 . . . . 0.77000000000000002 109.651 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -135.31 130.61 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.978 0.418 . . . . 1.3300000000000001 111.402 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.34 128.55 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.40999999999999998 109.272 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 p -116.77 148.08 41.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.59999999999999998 111.628 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 41.6 p90 -140.37 164.45 30.09 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.199 -0.667 . . . . 0.76000000000000001 109.199 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.24 149.56 29.55 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 3.6299999999999999 111.036 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -84.64 104.48 14.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.698 -0.683 . . . . 0.82999999999999996 109.595 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 m -76.96 -41.13 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.144 -0.48 . . . . 0.83999999999999997 112.235 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -123.02 -85.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.886 -0.326 . . . . 1.74 111.819 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -130.66 -56.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.377 0.51 . . . . 2.7200000000000002 112.377 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.54 10.82 9.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.867 0.365 . . . . 1.8400000000000001 111.237 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.87 124.58 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 2.25 110.85 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -108.23 122.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.521 -0.763 . . . . 0.53000000000000003 109.921 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 38.7 t30 -99.61 128.56 45.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.157 -0.474 . . . . 1.8200000000000001 111.559 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.2 mt -105.92 108.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.154 -0.684 . . . . 0.68999999999999995 109.154 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.71 -35.79 5.65 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.947 -0.301 . . . . 2.4700000000000002 111.751 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 44.7 t60 -106.73 127.07 53.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.496 0.665 . . . . 2.1200000000000001 111.623 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -149.79 110.06 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.286 -0.87 . . . . 0.72999999999999998 109.16 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.41 133.6 7.43 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.018 -1.086 . . . . 0.69999999999999996 112.714 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.34 146.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.928 -0.767 . . . . 0.93000000000000005 108.928 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.32 -0.712 0 C-N-CA 120.948 -0.301 . . . . 1.8300000000000001 110.226 179.751 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.389 -0.284 . . . . 1.1100000000000001 112.389 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.89 -33.96 51.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.406 . . . . 1.1399999999999999 110.8 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.96 -32.47 80.12 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.836 -0.62 . . . . 0.58999999999999997 112.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -66.51 -42.87 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.938 0.399 . . . . 2.02 110.119 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.74 -40.68 88.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.811 -0.631 . . . . 2.5699999999999998 111.033 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.68 -50.46 73.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.837 0.351 . . . . 0.85999999999999999 110.468 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 61' ' ' VAL . 23.2 tp -63.72 -41.72 98.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.29 110.508 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.95 -44.43 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 1.3899999999999999 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.56000000000000005 111.12 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.0 -47.57 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.44 110.002 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.2 t -61.81 -44.83 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.53000000000000003 111.031 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -58.78 -48.54 80.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.997 -0.547 . . . . 1.76 110.892 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 14.7 t60 -68.71 -31.05 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.555 . . . . 1.04 111.038 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.4 -44.48 87.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.84999999999999998 110.479 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.589 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 8.4 tpt180 -62.74 -34.79 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.365 -0.38 . . . . 3.1200000000000001 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.0 mt-10 -63.23 -47.83 80.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.8200000000000001 111.79 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -95.02 11.24 32.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.182 0.438 . . . . 1.3999999999999999 112.182 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.2 t30 59.29 37.79 23.45 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.401 0.62 . . . . 2.1800000000000002 111.369 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.4 mt -82.51 158.01 23.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.78000000000000003 110.644 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -107.2 131.32 54.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.895 -0.78 . . . . 3.0499999999999998 108.895 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mt -103.12 128.61 55.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.85999999999999999 112.355 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.3 pt -134.46 143.67 37.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.436 -1.256 . . . . 0.98999999999999999 107.754 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.41 125.4 24.31 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.655 -0.818 . . . . 0.5 112.992 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -88.44 -19.1 26.97 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.727 -1.212 . . . . 0.93999999999999995 107.727 176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 77' ' ' PHE . 34.8 t -70.16 115.99 10.0 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.395 -1.275 . . . . 1.3100000000000001 110.4 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -59.49 -27.65 66.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.427 -0.352 . . . . 1.1200000000000001 111.089 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . 74.7 t80 -74.01 -59.61 2.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.94999999999999996 110.915 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.39 79.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.5 111.377 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 60.7 tttm -59.84 -46.57 88.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 1.27 110.353 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 64.7 t60 -64.66 -31.33 72.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.257 -0.429 . . . . 1.21 111.068 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 49.1 mtp -67.37 -37.09 82.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 1.51 109.623 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.77 -32.51 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.452 -0.794 . . . . 0.57999999999999996 109.997 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 78.8 mt-10 -66.61 -36.53 82.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.406 0.622 . . . . 1.46 109.811 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -70.34 -50.18 41.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.123 -0.944 . . . . 2.3300000000000001 111.038 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.51 94.75 9.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.173 -0.467 . . . . 1.6000000000000001 110.78 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.56 -26.36 66.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 2.6600000000000001 110.618 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.27 68.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 1.46 111.661 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -90.56 -6.16 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 1.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -82.24 32.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.246 0.546 . . . . 2.4199999999999999 111.22 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.589 ' OD2' ' HD3' ' A' ' 65' ' ' ARG . 13.9 p-10 -106.0 -42.91 4.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.9 -0.778 . . . . 2.4399999999999999 108.9 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 m -98.88 -21.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.409 0.623 . . . . 0.87 109.603 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -85.14 136.1 33.69 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.4 -0.818 . . . . 1.1399999999999999 109.17 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.266 0.555 . . . . 1.4199999999999999 111.514 -179.374 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.981 0.42 . . . . 2.9100000000000001 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -80.09 98.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.816 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -87.87 114.39 24.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.129 -0.487 . . . . 2.23 110.068 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -75.57 142.53 42.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 2.52 111.598 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.6 -168.07 12.05 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.476 -1.049 . . . . 1.04 110.476 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.48 95.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.331 0.566 . . . . 3.1899999999999999 110.475 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.71 39.76 23.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.971 -0.558 . . . . 1.3799999999999999 110.39 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.535 ' HB3' HG22 ' A' ' 27' ' ' THR . 62.6 pttt -163.48 177.05 9.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.217 0.532 . . . . 0.93999999999999995 112.099 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -138.11 137.11 37.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.861 -1.163 . . . . 0.68999999999999995 107.861 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -144.08 156.13 44.24 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.4 -0.52 . . . . 1.1599999999999999 111.416 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.94 118.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.92000000000000004 109.756 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.42 174.39 28.07 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 111.355 -0.698 . . . . 1.52 111.355 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -70.91 -55.26 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.925 0.393 . . . . 2.6200000000000001 110.813 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -125.63 156.45 39.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.933 -0.576 . . . . 1.6000000000000001 109.458 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.87 -33.54 70.6 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.042 0.214 . . . . 2.7200000000000002 111.399 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.97 -16.42 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.244 0.545 . . . . 2.9199999999999999 110.94 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -125.4 36.55 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 2.4500000000000002 110.102 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 113.63 13.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.573 -0.74 . . . . 1.1899999999999999 110.725 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.55 -38.6 81.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.3899999999999999 109.665 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -144.78 137.87 26.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.065 -0.97 . . . . 0.77000000000000002 109.988 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -143.69 130.08 19.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.874 0.369 . . . . 1.3300000000000001 110.967 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -122.54 140.1 47.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.129 -0.693 . . . . 0.40999999999999998 109.129 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -122.79 148.12 45.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.77 -0.196 . . . . 0.59999999999999998 110.996 -179.152 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -140.34 139.49 35.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.804 -0.443 . . . . 0.76000000000000001 109.804 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.27 158.43 41.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.511 -0.313 . . . . 3.6299999999999999 110.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -92.87 109.4 20.83 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.381 -0.372 . . . . 0.82999999999999996 110.309 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.22 -35.86 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.045 0.45 . . . . 0.83999999999999997 110.449 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.3 -80.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.74 110.2 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -161.93 -50.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 2.7200000000000002 110.387 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -101.61 13.79 33.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.488 0.661 . . . . 1.8400000000000001 110.079 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.09 130.92 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 2.25 110.412 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 pt -121.74 130.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 0.53000000000000003 110.704 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.3 p-10 -106.88 139.65 40.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.878 -0.601 . . . . 1.8200000000000001 110.505 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.42 113.69 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.781 -0.645 . . . . 0.68999999999999995 109.478 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.18 -72.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.424 -0.807 . . . . 2.4700000000000002 110.707 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -139.17 155.29 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 2.1200000000000001 110.954 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -134.45 93.18 3.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.794 -0.639 . . . . 0.72999999999999998 109.877 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.79 97.44 1.78 Allowed Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.399 -0.905 . . . . 0.69999999999999996 112.254 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HB2' ' A' ' 24' ' ' ALA . 2.9 t -108.52 162.96 6.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.536 -0.542 . . . . 0.93000000000000005 109.536 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 121.056 0.455 . . . . 1.8300000000000001 111.024 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 112.314 -0.314 . . . . 1.1100000000000001 112.314 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.93 -49.44 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.121 0.486 . . . . 1.1399999999999999 110.872 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.38 -38.36 94.87 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.913 -0.66 . . . . 0.58999999999999997 112.562 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HE3' ' SD ' ' A' ' 81' ' ' MET . 20.4 mtpt -65.03 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.644 0.259 . . . . 2.02 110.598 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.68 -43.58 98.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 2.5699999999999998 110.66 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.47 -42.05 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.85999999999999999 110.472 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 81' ' ' MET . 1.3 mt -64.22 -37.82 88.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.29 110.048 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.86 78.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.873 -0.603 . . . . 1.3899999999999999 110.468 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.32 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.56000000000000005 110.632 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.8 t -69.5 -43.74 80.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.77 -0.65 . . . . 0.44 109.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.7 t -62.98 -35.86 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 0.53000000000000003 109.94 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.1 tp10 -62.84 -47.39 83.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.057 -0.52 . . . . 1.76 109.882 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.411 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 6.5 t60 -64.76 -33.5 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 1.04 109.772 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.26 83.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.651 -0.704 . . . . 0.84999999999999998 109.948 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.3 mtt-85 -75.62 -32.53 60.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 3.1200000000000001 110.302 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 58.2 mt-10 -63.46 -47.05 83.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 1.8200000000000001 111.946 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.488 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 6.6 m120 -103.44 2.51 33.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.006 0.373 . . . . 1.3999999999999999 112.006 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 61.12 46.36 8.22 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.109 0.48 . . . . 2.1800000000000002 111.111 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -89.27 159.48 17.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.725 -0.67 . . . . 0.78000000000000003 111.261 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -93.2 134.53 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.101 -0.703 . . . . 3.0499999999999998 109.101 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 mm -102.0 124.95 56.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.229 0.538 . . . . 0.85999999999999999 111.757 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -135.89 149.44 27.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.086 -1.079 . . . . 0.98999999999999999 108.086 177.292 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.71 138.7 52.87 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.506 -0.477 . . . . 0.5 112.147 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -95.35 -30.06 14.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.783 -0.644 . . . . 0.93999999999999995 110.031 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 151.55 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 1.3100000000000001 111.121 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -54.22 29.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 1.1200000000000001 111.959 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -56.53 -49.82 73.65 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.917 0.34 . . . . 0.94999999999999996 111.917 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.46 -49.5 72.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.5 110.633 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 32.1 tttm -63.63 -44.82 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 1.27 110.699 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.472 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 35.6 t60 -58.69 -37.37 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 1.21 111.533 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.717 ' HG2' HD13 ' A' ' 57' ' ' LEU . 42.4 tpp -65.65 -42.57 91.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 1.51 109.915 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -66.06 -30.26 70.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.375 -0.829 . . . . 0.57999999999999996 110.931 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 72.6 mt-10 -70.81 -32.32 69.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 1.46 110.556 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -84.65 -48.48 9.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.924 -0.58 . . . . 2.3300000000000001 111.853 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.44 105.65 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.113 0.483 . . . . 1.6000000000000001 110.867 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.825 -0.625 . . . . 2.6600000000000001 111.203 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -27.7 69.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 1.46 111.296 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -81.01 -24.09 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.489 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.67 -10.17 49.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.331 -0.395 . . . . 2.4199999999999999 110.797 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.18 -35.01 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.226 0.536 . . . . 2.4399999999999999 109.846 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.8 -28.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.87 110.874 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.465 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 16.6 t80 -77.72 134.01 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.1399999999999999 110.329 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 1.4199999999999999 110.082 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 15' ' ' ILE . 5.7 mm-40 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.889 0.376 . . . . 2.9100000000000001 110.941 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.69 96.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 125.13 36.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.588 -0.523 . . . . 2.23 109.588 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -91.76 146.18 23.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.255 0.55 . . . . 2.52 110.937 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.3 -164.72 11.53 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.312 -1.115 . . . . 1.04 110.312 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.65 93.55 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.295 0.547 . . . . 3.1899999999999999 110.027 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 54.43 42.75 31.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.688 -0.687 . . . . 1.3799999999999999 110.454 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -158.14 168.08 28.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.93999999999999995 110.712 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' HB3' HD22 ' A' ' 56' ' ' LEU . 77.6 m-85 -134.22 139.5 45.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.824 -0.806 . . . . 0.68999999999999995 108.824 178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -152.99 149.55 28.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.183 0.516 . . . . 1.1599999999999999 111.643 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 5' ' ' GLU . 63.8 mt -135.15 132.92 53.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.267 -0.879 . . . . 0.92000000000000004 109.197 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.67 -148.73 9.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.403 -0.903 . . . . 1.52 112.407 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.68 -25.95 14.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.185 0.517 . . . . 2.6200000000000001 110.818 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -163.8 172.09 14.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 1.6000000000000001 109.489 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -53.07 -42.46 65.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 2.7200000000000002 110.728 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.39 -25.14 25.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.188 0.518 . . . . 2.9199999999999999 110.307 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.47 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 2.4500000000000002 109.802 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.18 108.33 15.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.523 -0.762 . . . . 1.1899999999999999 110.733 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -65.79 -40.35 91.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 1.3899999999999999 109.925 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.38 121.6 26.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.488 -0.778 . . . . 0.77000000000000002 109.58 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -133.38 128.46 35.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.0 0.428 . . . . 1.3300000000000001 110.867 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.4 tt -129.27 117.71 44.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.537 -0.756 . . . . 0.40999999999999998 109.117 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.81 139.87 46.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.59999999999999998 111.189 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.6 173.74 11.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.938 -0.574 . . . . 0.76000000000000001 110.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.02 155.45 27.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.12 -0.326 . . . . 3.6299999999999999 110.12 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -82.56 115.45 21.54 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.308 -0.626 . . . . 0.82999999999999996 109.308 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.52 -41.74 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.424 -0.353 . . . . 0.83999999999999997 111.256 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -126.27 -86.99 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.749 -0.381 . . . . 1.74 111.447 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.76 -59.32 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.478 0.547 . . . . 2.7200000000000002 112.478 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -112.86 3.79 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.065 -0.254 . . . . 1.8400000000000001 111.51 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -99.69 124.86 45.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.009 0.433 . . . . 2.25 111.374 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pt -108.49 121.62 61.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.618 -0.719 . . . . 0.53000000000000003 109.556 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.7 t30 -105.68 124.21 49.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 1.8200000000000001 111.455 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.8 mt -81.01 121.68 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.017 -0.734 . . . . 0.68999999999999995 109.017 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.02 -49.71 6.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.339 -0.392 . . . . 2.4700000000000002 111.888 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -129.71 146.89 51.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.417 0.627 . . . . 2.1200000000000001 111.557 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -144.74 102.94 3.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.093 -0.958 . . . . 0.72999999999999998 109.24 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.53 122.04 5.23 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.711 -0.757 . . . . 0.69999999999999996 112.256 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -129.05 142.06 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 110.36 -0.237 . . . . 0.93000000000000005 110.36 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.856 0.836 . . . . 1.8300000000000001 109.764 178.648 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.57 0 N-CA-C 111.743 -0.543 . . . . 1.1100000000000001 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.34 -46.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.1399999999999999 110.948 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.88 98.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.923 -0.656 . . . . 0.58999999999999997 112.294 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -66.53 -34.02 76.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 2.02 110.818 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -39.19 73.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.428 -0.351 . . . . 2.5699999999999998 110.628 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' PHE . 9.9 mt -64.32 -42.62 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.677 -0.49 . . . . 0.85999999999999999 109.677 178.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.26 -35.12 80.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 1.29 109.517 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -62.56 -41.51 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.509 -0.768 . . . . 1.3899999999999999 110.119 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.35 90.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.56000000000000005 110.287 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.42 -43.76 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.44 109.972 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.484 HG21 ' CG ' ' A' ' 88' ' ' TYR . 63.9 t -62.82 -48.41 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.671 . . . . 0.53000000000000003 111.074 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -44.49 96.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 1.76 110.52 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.506 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 55.1 t60 -66.81 -32.18 73.29 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.958 -0.564 . . . . 1.04 110.718 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.84999999999999998 110.079 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -61.08 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 3.1200000000000001 110.696 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.506 ' OE2' ' HA ' ' A' ' 63' ' ' HIS . 44.0 mt-10 -58.1 -50.18 74.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.8200000000000001 111.333 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -100.97 14.45 31.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 1.3999999999999999 112.206 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.24 43.06 29.83 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.559 0.695 . . . . 2.1800000000000002 110.879 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -90.42 155.15 19.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.447 -0.797 . . . . 0.78000000000000003 110.821 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.0 mptt -109.97 134.16 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.43 -0.952 . . . . 3.0499999999999998 108.43 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.8 mt -100.84 139.42 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 112.937 0.717 . . . . 0.85999999999999999 112.937 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -144.22 157.23 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.215 -1.357 . . . . 0.98999999999999999 107.398 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.68 139.66 26.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.062 -0.655 . . . . 0.5 112.746 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -87.04 -35.39 18.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.552 -0.749 . . . . 0.93999999999999995 109.199 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 124.43 23.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.665 -0.698 . . . . 1.3100000000000001 109.621 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 m -55.14 -38.5 68.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.264 0.468 . . . . 1.1200000000000001 112.264 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.28 -55.27 33.82 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.34 -0.144 . . . . 0.94999999999999996 111.089 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.48 96.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.5 110.938 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HG2' ' OH ' ' A' ' 92' ' ' TYR . 6.6 tmtm? -61.1 -45.12 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 1.27 110.059 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 81.4 t60 -73.32 -24.08 60.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 1.21 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -52.72 44.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.773 0.32 . . . . 1.51 110.512 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.04 -26.89 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 0.57999999999999996 110.122 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 27.3 tt0 -72.12 -38.56 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.986 -1.007 . . . . 1.46 110.812 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.48 -44.55 19.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 2.3300000000000001 110.7 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -74.07 101.5 3.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 1.6000000000000001 110.74 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.46 -26.94 68.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 2.6600000000000001 110.783 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -67.59 -15.98 63.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 1.46 111.919 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.484 ' CG ' HG21 ' A' ' 61' ' ' VAL . 19.3 m-30 -108.56 2.61 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 1.0 110.901 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.93 11.56 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.154 0.427 . . . . 2.4199999999999999 112.154 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.53 -25.67 21.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 2.4399999999999999 110.642 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.62 -4.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.87 111.009 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.531 ' OH ' ' HG2' ' A' ' 79' ' ' LYS . 22.9 t80 -91.11 133.49 35.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.466 . . . . 1.1399999999999999 109.774 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.206 -0.452 . . . . 1.4199999999999999 111.09 -179.604 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 42.7 mt-10 . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 121.284 0.564 . . . . 2.9100000000000001 111.711 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -81.03 84.21 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -72.86 126.64 30.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 2.23 109.867 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -109.71 126.08 53.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.049 0.452 . . . . 2.52 110.375 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.11 149.51 17.26 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.647 -0.706 . . . . 1.04 111.929 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 44.69 42.5 5.9 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.968 0.907 . . . . 3.1899999999999999 112.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 60.1 38.62 20.34 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.358 0.599 . . . . 1.3799999999999999 110.81 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -142.79 134.17 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.633 -0.712 . . . . 0.93999999999999995 110.835 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -100.52 115.01 29.12 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.331 -0.989 . . . . 0.68999999999999995 108.331 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -134.13 128.73 34.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.669 0.747 . . . . 1.1599999999999999 112.13 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 17.2 mt -91.36 119.75 39.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.127 -0.942 . . . . 0.92000000000000004 109.263 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.8 161.33 23.72 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.546 -0.835 . . . . 1.52 112.189 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.6 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.334 0.588 . . . . 2.6200000000000001 110.991 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -157.31 156.98 33.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.813 -0.63 . . . . 1.6000000000000001 109.585 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.22 -43.11 74.2 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.063 0.394 . . . . 2.7200000000000002 112.063 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -87.45 4.5 43.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.12 0.486 . . . . 2.9199999999999999 110.567 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.7 m-80 -115.07 20.04 15.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.721 -0.672 . . . . 2.4500000000000002 109.935 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 109.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 1.1899999999999999 110.847 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.77 -38.26 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.931 -0.577 . . . . 1.3899999999999999 109.785 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.62 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -145.62 126.86 14.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.77000000000000002 110.164 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.7 147.79 41.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.353 0.597 . . . . 1.3300000000000001 112.05 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.9 tt -131.31 132.47 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 0.40999999999999998 108.559 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -113.17 136.32 52.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.209 0.528 . . . . 0.59999999999999998 112.304 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -136.15 138.76 42.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.76000000000000001 109.402 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.2 mtm105 -125.46 141.69 51.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 3.6299999999999999 111.042 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.95 95.77 5.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.597 -0.729 . . . . 0.82999999999999996 109.604 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.71 -28.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.536 -0.302 . . . . 0.83999999999999997 110.925 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -144.3 33.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 1.74 110.993 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 67.85 -66.37 0.22 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.911 -0.586 . . . . 2.7200000000000002 111.533 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.437 ' HA ' HD22 ' A' ' 69' ' ' LEU . 2.3 m120 -90.45 18.79 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.18 0.514 . . . . 1.8400000000000001 110.003 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -138.54 115.37 10.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.303 -0.862 . . . . 2.25 109.209 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.31 124.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 0.53000000000000003 110.767 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.4 t30 -105.8 118.48 36.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.625 . . . . 1.8200000000000001 110.799 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.91 116.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.791 -0.818 . . . . 0.68999999999999995 108.791 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -78.74 -59.33 2.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 2.4700000000000002 111.591 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -141.19 167.86 21.16 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.522 -0.471 . . . . 2.1200000000000001 111.664 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -144.48 109.45 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.72999999999999998 109.97 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.37 93.45 0.66 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.847 -0.692 . . . . 0.69999999999999996 111.567 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 t -99.82 150.74 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.763 0.316 . . . . 0.93000000000000005 111.309 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 1.8300000000000001 110.356 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 N-CA-C 112.651 -0.18 . . . . 1.1100000000000001 112.651 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.17 -34.65 57.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.943 0.401 . . . . 1.1399999999999999 110.895 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.58 -29.47 75.26 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.8 -0.714 . . . . 0.58999999999999997 112.205 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 18.9 mttt -68.03 -39.74 83.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.946 -0.39 . . . . 2.02 109.946 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -42.66 99.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 2.5699999999999998 110.381 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.06 -45.35 77.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 0.85999999999999999 110.807 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.31 -39.1 92.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.29 110.335 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -60.78 -38.34 84.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 1.3899999999999999 110.421 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.33 97.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.56000000000000005 110.452 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.62 -47.03 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.44 110.14 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.59 -41.97 89.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 116.068 -0.515 . . . . 0.53000000000000003 110.842 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -60.31 -53.61 55.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.719 -0.673 . . . . 1.76 110.933 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 2.8 t60 -66.14 -32.7 74.3 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.802 -0.635 . . . . 1.04 111.247 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.25 -47.71 81.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.84999999999999998 111.102 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -62.57 -36.01 81.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.655 -0.248 . . . . 3.1200000000000001 111.14 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.565 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 52.2 mt-10 -58.26 -40.52 82.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.8200000000000001 111.496 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.69 8.8 33.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.33 -0.395 . . . . 1.3999999999999999 112.017 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.32 54.34 7.78 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.704 0.764 . . . . 2.1800000000000002 110.319 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 34' ' ' ASN . 33.8 mt -99.25 138.51 36.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.371 -0.831 . . . . 0.78000000000000003 110.924 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 93' ' ' LEU . 36.3 mtmt -82.82 132.26 35.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.932 -0.766 . . . . 3.0499999999999998 108.932 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.2 mt -105.8 128.46 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.378 0.609 . . . . 0.85999999999999999 112.558 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 2.3 pt -136.39 139.95 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.892 -1.049 . . . . 0.98999999999999999 108.538 178.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.92 138.97 53.38 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.799 -0.36 . . . . 0.5 111.447 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -94.84 -28.82 15.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.157 0.503 . . . . 0.93999999999999995 110.317 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 132.28 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.595 -0.73 . . . . 1.3100000000000001 110.341 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -36.35 76.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 1.1200000000000001 111.776 -179.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.96 -57.34 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.94999999999999996 111.16 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.5 111.027 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -62.28 -40.84 97.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.566 . . . . 1.27 110.093 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -65.92 -37.08 85.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 1.21 110.387 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 36.7 mtp -68.55 -43.18 77.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.454 . . . . 1.51 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.91 -35.28 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.57999999999999996 110.249 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -78.86 -20.93 48.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.46 111.23 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -82.49 -50.51 8.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.668 0.271 . . . . 2.3300000000000001 111.114 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.01 115.27 23.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.835 0.35 . . . . 1.6000000000000001 111.167 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.62 -32.13 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 2.6600000000000001 111.37 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -34.56 77.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 1.46 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -88.8 -28.94 20.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.239 0.542 . . . . 1.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 9.8 tt0 -62.36 -19.47 63.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.443 -0.799 . . . . 2.4199999999999999 111.654 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.68 -49.13 72.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.732 0.301 . . . . 2.4399999999999999 111.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 91' ' ' VAL . 2.4 m -87.62 -12.4 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.87 111.318 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 39.1 t80 -85.07 94.88 8.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.409 0.623 . . . . 1.1399999999999999 109.697 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.605 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.586 -0.734 . . . . 1.4199999999999999 110.373 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.718 0.294 . . . . 2.9100000000000001 110.408 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.61 HD13 ' HB2' ' A' ' 59' ' ' ALA . 18.1 mt -77.42 97.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.312 0.577 . . . . 1.0 109.95 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -81.41 123.89 28.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.623 -0.717 . . . . 2.23 110.436 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.28 142.54 45.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 2.52 110.672 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.3 -168.49 11.31 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.297 -0.721 . . . . 1.04 111.297 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.37 87.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 3.1899999999999999 111.229 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.23 39.48 30.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.554 0.693 . . . . 1.3799999999999999 110.089 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 27' ' ' THR . 59.3 pttt -156.69 171.63 20.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.01 -0.996 . . . . 0.93999999999999995 110.91 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -130.31 127.76 40.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.548 -0.908 . . . . 0.68999999999999995 108.548 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -136.0 146.72 47.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.678 -0.409 . . . . 1.1599999999999999 111.131 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -125.44 121.1 59.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.859 -0.61 . . . . 0.92000000000000004 109.778 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.76 -179.61 35.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.488 -0.645 . . . . 1.52 111.488 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.92 -49.36 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.031 0.443 . . . . 2.6200000000000001 110.743 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.76 164.26 27.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.714 -0.676 . . . . 1.6000000000000001 109.779 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.45 -23.93 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.313 . . . . 2.7200000000000002 111.198 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -88.42 -23.31 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.42 0.628 . . . . 2.9199999999999999 109.325 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -120.86 51.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.336 -0.847 . . . . 2.4500000000000002 109.242 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.35 148.04 22.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 1.1899999999999999 111.186 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 mt -74.99 -37.98 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.754 -0.832 . . . . 1.3899999999999999 108.754 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.508 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -172.17 145.2 1.72 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.165 -0.925 . . . . 0.77000000000000002 110.662 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -142.3 140.98 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.486 . . . . 1.3300000000000001 110.584 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -121.35 136.62 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.912 -0.585 . . . . 0.40999999999999998 109.752 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 12' ' ' LYS . 7.9 p -119.77 145.69 46.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.242 -0.435 . . . . 0.59999999999999998 110.289 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.53 153.63 46.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.739 0.304 . . . . 0.76000000000000001 110.408 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -135.3 158.97 43.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.123 -0.49 . . . . 3.6299999999999999 110.395 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -96.6 110.08 22.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.539 -0.541 . . . . 0.82999999999999996 109.539 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.1 m -78.73 -23.25 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.195 0.522 . . . . 0.83999999999999997 110.821 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -141.72 -88.73 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.764 -0.653 . . . . 1.74 109.275 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -151.47 -54.81 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 2.7200000000000002 110.575 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -102.0 12.6 36.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.316 0.579 . . . . 1.8400000000000001 110.305 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -122.38 121.06 35.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 2.25 110.234 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 pt -117.14 131.3 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.435 . . . . 0.53000000000000003 110.785 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -111.07 140.08 45.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.843 -0.617 . . . . 1.8200000000000001 110.05 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.38 114.35 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.13 -0.693 . . . . 0.68999999999999995 109.13 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -74.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 2.4700000000000002 110.75 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -137.66 156.79 47.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 2.1200000000000001 110.922 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.14 97.0 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.72999999999999998 110.795 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.78 119.91 5.89 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.49 -0.862 . . . . 0.69999999999999996 110.972 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 24' ' ' ALA . 27.1 t -128.99 137.98 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.647 0.26 . . . . 0.93000000000000005 110.732 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 109.895 -0.409 . . . . 1.8300000000000001 109.895 178.449 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 CA-C-O 120.14 -0.255 . . . . 1.1100000000000001 113.354 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 24' ' ' ALA . 20.3 t -58.33 -45.4 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.909 0.355 . . . . 1.1399999999999999 111.411 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -42.82 87.95 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.042 -0.599 . . . . 0.58999999999999997 112.711 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -69.66 -35.06 74.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 2.02 110.552 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -65.22 -35.12 80.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 2.5699999999999998 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 24' ' ' ALA . 96.1 mt -63.13 -53.28 55.9 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.85999999999999999 110.321 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.42 -30.65 71.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.724 -0.671 . . . . 1.29 110.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.85 -47.53 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 1.3899999999999999 110.176 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -61.28 -41.69 97.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.033 0.444 . . . . 0.56000000000000005 111.008 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.98 -47.13 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.44 110.152 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 73.4 t -63.35 -41.16 91.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.53000000000000003 110.373 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.9 mt-10 -58.48 -52.54 65.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.417 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.496 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.0 t60 -62.67 -31.76 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 1.04 110.52 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.2 -32.32 72.47 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.84999999999999998 110.049 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 35.5 mmt180 -74.75 -34.0 62.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.246 0.546 . . . . 3.1200000000000001 109.937 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 44.2 mt-10 -69.96 -50.6 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.531 -0.759 . . . . 1.8200000000000001 111.695 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -93.55 -4.4 51.05 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.362 0.505 . . . . 1.3999999999999999 112.362 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 62.91 44.26 6.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.098 0.475 . . . . 2.1800000000000002 110.533 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.01 153.25 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.511 -0.768 . . . . 0.78000000000000003 110.911 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.92 139.05 30.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.119 -0.697 . . . . 3.0499999999999998 109.119 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 38.7 mm -104.0 120.67 54.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.365 0.602 . . . . 0.85999999999999999 112.211 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -126.09 135.84 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.885 -1.154 . . . . 0.98999999999999999 107.885 177.557 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.4 120.62 38.14 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.871 0.693 . . . . 0.5 112.871 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -94.92 -32.27 13.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.333 -0.849 . . . . 0.93999999999999995 109.001 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 10.7 t -72.79 126.54 30.15 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.314 -0.857 . . . . 1.3100000000000001 109.858 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -43.14 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.525 0.565 . . . . 1.1200000000000001 112.525 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.43 -55.2 36.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.94999999999999996 111.532 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.94 97.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.5 111.044 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -60.12 -41.18 92.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 1.27 110.51 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -65.11 -35.35 80.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 1.21 111.4 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.4 mtp -77.92 -43.33 30.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.815 0.341 . . . . 1.51 111.133 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 88' ' ' TYR . 25.1 mt -66.5 -28.51 68.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.57999999999999996 111.397 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -85.29 -17.38 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.04 -0.527 . . . . 1.46 110.988 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -88.17 -53.62 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 2.3300000000000001 111.198 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -69.7 129.13 38.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 1.6000000000000001 110.939 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -63.22 -44.14 96.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.612 -0.722 . . . . 2.6600000000000001 111.314 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -29.5 70.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 1.46 111.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.536 ' HB3' HD23 ' A' ' 82' ' ' LEU . 10.9 m-30 -81.97 -28.79 32.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.484 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 89' ' ' GLN . 7.8 tp60 -69.05 -14.23 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 2.4199999999999999 111.053 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -78.24 -34.94 48.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.172 -0.467 . . . . 2.4399999999999999 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -36.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.87 110.79 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 8.6 t80 -80.49 131.95 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.89 -0.595 . . . . 1.1399999999999999 110.23 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.29 0.567 . . . . 1.4199999999999999 110.983 -179.561 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.844 -0.428 . . . . 2.9100000000000001 109.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.0 mt -76.92 104.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.567 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -88.07 117.95 27.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.279 -0.637 . . . . 2.23 109.279 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -88.6 124.06 33.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.863 -0.608 . . . . 2.52 112.157 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.4 -173.05 19.02 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 109.463 -1.455 . . . . 1.04 109.463 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.94 101.04 1.04 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.952 0.876 . . . . 3.1899999999999999 111.032 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 39.3 m-80 63.17 38.75 10.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.081 -0.963 . . . . 1.3799999999999999 111.353 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -163.15 153.91 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.93999999999999995 111.399 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -126.43 128.07 46.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.355 -0.98 . . . . 0.68999999999999995 108.355 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -136.57 147.9 47.25 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.317 -0.553 . . . . 1.1599999999999999 111.654 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.492 HG13 HD21 ' A' ' 56' ' ' LEU . 91.2 mt -122.2 124.03 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.558 -0.746 . . . . 0.92000000000000004 109.863 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.52 166.56 29.62 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.161 -0.776 . . . . 1.52 111.161 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -72.47 -28.27 62.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.917 0.358 . . . . 2.6200000000000001 110.449 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -140.93 161.2 38.39 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 1.6000000000000001 109.713 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -66.07 -37.61 86.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 2.7200000000000002 110.872 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -73.92 -29.52 62.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 2.9199999999999999 110.097 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -102.71 44.71 1.0 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.216 0.531 . . . . 2.4500000000000002 110.366 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 105.71 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 1.1899999999999999 109.948 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.79 -40.01 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 1.3899999999999999 110.575 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -149.11 144.24 26.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.85 -0.614 . . . . 0.77000000000000002 109.904 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -151.29 149.93 29.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.052 0.453 . . . . 1.3300000000000001 110.979 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.36 135.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.511 -0.768 . . . . 0.40999999999999998 109.097 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -114.69 139.47 49.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.724 0.297 . . . . 0.59999999999999998 111.035 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.4 p90 -138.57 162.94 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.544 -0.539 . . . . 0.76000000000000001 109.544 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -161.34 145.45 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.767 0.318 . . . . 3.6299999999999999 111.102 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -80.34 103.41 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.82999999999999996 110.06 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 m -90.67 -15.97 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.256 -0.429 . . . . 0.83999999999999997 111.051 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -137.37 -163.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.157 -0.682 . . . . 1.74 109.157 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -65.27 -43.56 90.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.559 0.218 . . . . 2.7200000000000002 111.056 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -138.85 24.6 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.687 0.279 . . . . 1.8400000000000001 110.844 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 58.2 mt-10 -107.52 124.16 49.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.798 0.332 . . . . 2.25 110.641 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pt -110.0 123.16 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.53000000000000003 110.439 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 20.2 t-20 -102.8 130.0 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.915 -0.584 . . . . 1.8200000000000001 110.993 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.44 115.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.835 -0.621 . . . . 0.68999999999999995 109.407 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.84 -68.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.321 -0.854 . . . . 2.4700000000000002 111.861 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -144.24 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 2.1200000000000001 111.397 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -139.58 113.62 8.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.35 -0.841 . . . . 0.72999999999999998 109.563 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -118.95 127.35 7.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.426 -0.892 . . . . 0.69999999999999996 112.134 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.7 130.25 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.999 -0.371 . . . . 0.93000000000000005 109.999 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.239 0.543 . . . . 1.8300000000000001 110.591 179.549 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 CA-C-O 120.315 -0.158 . . . . 1.1100000000000001 113.166 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.82 -41.43 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.02 0.438 . . . . 1.1399999999999999 110.201 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.14 -32.51 72.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.917 -0.659 . . . . 0.58999999999999997 111.838 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -70.82 -40.77 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.546 -0.539 . . . . 2.02 109.546 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.72 -40.81 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.242 -0.89 . . . . 2.5699999999999998 110.185 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 15' ' ' ILE . 55.8 mt -70.1 -44.28 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.85999999999999999 111.234 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 61' ' ' VAL . 59.9 tp -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.774 0.321 . . . . 1.29 110.304 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 17.1 ttpp -62.49 -38.73 90.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 1.3899999999999999 110.583 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.08 78.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.828 0.347 . . . . 0.56000000000000005 110.861 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.88 -51.44 27.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.078 -0.51 . . . . 0.44 110.423 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.422 HG11 ' CE1' ' A' ' 88' ' ' TYR . 61.6 t -60.18 -38.75 78.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.095 -0.502 . . . . 0.53000000000000003 111.276 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.1 tt0 -57.99 -49.96 75.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.857 -0.61 . . . . 1.76 110.379 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 21.7 t60 -70.67 -30.43 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.787 -0.642 . . . . 1.04 110.699 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -62.65 -47.67 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.84999999999999998 110.018 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -61.66 -36.4 80.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 3.1200000000000001 110.963 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 59.2 mt-10 -61.05 -40.94 95.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 1.8200000000000001 111.598 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -99.76 8.06 44.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.536 -0.302 . . . . 1.3999999999999999 111.518 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.1 m120 57.64 37.92 27.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.411 0.624 . . . . 2.1800000000000002 110.577 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 64' ' ' ALA . 69.0 mt -79.7 156.39 27.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.661 -0.699 . . . . 0.78000000000000003 110.987 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -101.33 132.98 46.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 3.0499999999999998 108.791 178.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 mt -106.3 133.41 50.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.459 0.647 . . . . 0.85999999999999999 112.631 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.637 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.1 pt -135.17 130.3 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.566 -1.272 . . . . 0.98999999999999999 107.566 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.43 124.03 37.49 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.551 0.574 . . . . 0.5 112.551 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 m -87.35 -24.61 24.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.337 -0.986 . . . . 0.93999999999999995 108.337 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 15.8 t -67.86 116.59 8.69 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.673 -1.149 . . . . 1.3100000000000001 109.703 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 1.1200000000000001 111.748 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.44 -53.79 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.94999999999999996 110.744 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.59 93.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.5 110.737 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.746 -0.661 . . . . 1.27 110.304 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -63.64 -41.23 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 1.21 111.767 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.496 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 3.7 ttm -77.72 -32.23 52.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.851 -0.34 . . . . 1.51 111.745 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 ' CD1' ' A' ' 92' ' ' TYR . 26.2 mt -70.17 -37.95 75.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 0.57999999999999996 110.64 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.17 -15.45 47.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.155 -0.475 . . . . 1.46 110.792 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 81' ' ' MET . 12.1 tttm -51.54 -40.91 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.76 -0.654 . . . . 2.3300000000000001 111.239 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.21 141.4 51.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.992 -0.549 . . . . 1.6000000000000001 110.23 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -3.23 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.51 . . . . 2.6600000000000001 110.657 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -68.76 -11.43 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.46 110.792 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CE1' HG11 ' A' ' 61' ' ' VAL . 22.1 m-85 -115.76 11.36 15.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.843 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.51 -24.71 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.929 0.344 . . . . 2.4199999999999999 111.929 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -80.45 -31.19 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.565 -0.454 . . . . 2.4399999999999999 111.102 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.74 -41.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 0.87 111.46 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CD1' HD13 ' A' ' 82' ' ' LEU . 84.0 t80 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.89 0.376 . . . . 1.1399999999999999 110.12 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 121.113 0.482 . . . . 1.4199999999999999 110.084 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 55.1 mt-10 . . . . . 0 N--CA 1.469 0.475 0 CA-C-O 121.273 0.559 . . . . 2.9100000000000001 111.933 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' HG12 ' A' ' 15' ' ' ILE . 9.5 mt -83.23 81.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.694 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -71.87 128.35 35.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.839 -0.619 . . . . 2.23 109.628 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -109.62 122.08 46.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.243 0.544 . . . . 2.52 110.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.18 145.13 11.49 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.468 -0.787 . . . . 1.04 111.72 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 42.48 48.96 4.64 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.993 0.917 . . . . 3.1899999999999999 112.903 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 57.12 36.71 27.94 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.389 0.614 . . . . 1.3799999999999999 110.774 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 27' ' ' THR . 21.4 ttpt -141.83 129.16 21.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.512 -0.767 . . . . 0.93999999999999995 111.161 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -97.77 110.9 23.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.936 -1.135 . . . . 0.68999999999999995 107.936 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -122.96 119.5 30.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.571 0.7 . . . . 1.1599999999999999 111.279 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 30.9 mt -91.36 112.6 25.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.737 -0.838 . . . . 0.92000000000000004 108.737 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.5 174.4 43.84 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.393 -0.908 . . . . 1.52 112.187 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.88 -13.92 43.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.125 0.488 . . . . 2.6200000000000001 111.146 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -155.37 159.29 39.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.414 -0.357 . . . . 1.6000000000000001 110.593 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -63.81 -27.53 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 2.7200000000000002 110.579 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 4.14 50.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.167 0.508 . . . . 2.9199999999999999 110.218 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -136.52 55.63 1.84 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.822 -0.626 . . . . 2.4500000000000002 110.279 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.08 127.64 36.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.146 -0.479 . . . . 1.1899999999999999 110.295 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.36 -23.26 57.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 1.3899999999999999 109.263 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.49 135.94 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.837 . . . . 0.77000000000000002 110.169 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.6 131.58 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.294 0.569 . . . . 1.3300000000000001 111.467 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.21 129.03 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.844 -0.798 . . . . 0.40999999999999998 108.844 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 12' ' ' LYS . 60.5 p -115.51 136.79 52.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.99 0.424 . . . . 0.59999999999999998 111.457 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -134.73 135.84 42.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.147 -0.686 . . . . 0.76000000000000001 109.147 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -117.98 142.41 47.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.955 0.407 . . . . 3.6299999999999999 111.423 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -83.73 102.51 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.642 -0.708 . . . . 0.82999999999999996 109.851 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 m -88.91 -29.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.74 0.305 . . . . 0.83999999999999997 111.581 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 40.6 t0 -145.46 37.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 1.74 110.276 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 63.23 -73.03 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.471 -0.786 . . . . 2.7200000000000002 112.523 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 12.8 m120 -80.59 12.85 2.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 1.8400000000000001 110.999 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 5.0 mt-10 -133.64 113.74 12.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.482 -0.562 . . . . 2.25 109.482 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -111.44 123.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.53000000000000003 111.051 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.2 t30 -105.01 122.49 45.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.836 -0.62 . . . . 1.8200000000000001 110.524 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.551 HG22 ' SG ' ' A' ' 75' ' ' CYS . 82.9 mt -74.7 115.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.291 -0.633 . . . . 0.68999999999999995 109.291 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.61 -59.81 2.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 2.4700000000000002 111.219 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -143.96 159.88 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 2.1200000000000001 111.399 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -145.59 105.16 3.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.525 -0.761 . . . . 0.72999999999999998 109.058 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.06 143.33 18.04 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.415 -0.897 . . . . 0.69999999999999996 112.614 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.98 125.27 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.75 -0.463 . . . . 0.93000000000000005 109.75 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 1.8300000000000001 109.537 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' HD3' ' A' ' 54' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.211 0 N-CA-C 113.156 0.022 . . . . 1.1100000000000001 113.156 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.8 m -59.69 -31.11 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.877 0.325 . . . . 1.1399999999999999 111.877 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.56 81.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.926 -0.654 . . . . 0.58999999999999997 112.514 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HD3' ' HA2' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -73.1 -41.51 63.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.259 -0.274 . . . . 2.02 110.259 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -63.53 -34.73 78.43 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.435 . . . . 2.5699999999999998 110.811 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.1 mt -64.06 -52.71 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.835 -0.62 . . . . 0.85999999999999999 110.529 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.95 -37.17 86.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.84 -0.618 . . . . 1.29 110.786 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -39.69 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.3899999999999999 110.424 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.68 94.44 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.224 -0.444 . . . . 0.56000000000000005 110.65 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -49.01 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.92 -0.582 . . . . 0.44 110.458 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.63 -44.81 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.53000000000000003 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.4 -45.97 92.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 1.76 110.765 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -67.34 -38.4 84.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.118 -0.492 . . . . 1.04 110.901 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.85 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.84999999999999998 111.267 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -68.6 -43.52 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.917 0.389 . . . . 3.1200000000000001 110.871 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -74.1 -35.77 64.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 1.8200000000000001 112.121 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -94.42 1.41 55.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.368 0.507 . . . . 1.3999999999999999 112.368 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 54.06 64.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.686 0.755 . . . . 2.1800000000000002 109.801 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.16 138.35 48.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.78000000000000003 111.195 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HB3' HD21 ' A' ' 93' ' ' LEU . 30.5 mtmt -84.99 124.18 31.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.242 -0.89 . . . . 3.0499999999999998 108.947 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.0 mt -95.67 132.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.486 0.66 . . . . 0.85999999999999999 112.393 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.2 pt -139.62 130.03 31.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.895 -1.15 . . . . 0.98999999999999999 107.895 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.29 145.3 48.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.498 0.555 . . . . 0.5 112.498 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -112.59 -8.16 13.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.533 -0.758 . . . . 0.93999999999999995 110.066 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.551 ' SG ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -91.29 136.34 33.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.74 -0.664 . . . . 1.3100000000000001 110.524 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -47.47 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 1.1200000000000001 112.179 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.52 -54.69 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.556 -0.293 . . . . 0.94999999999999996 111.764 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.09 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.376 -0.375 . . . . 0.5 111.073 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.67 -46.73 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.27 110.253 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -60.32 -43.42 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 1.21 110.477 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mmm -65.07 -45.1 86.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 1.51 111.574 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 92' ' ' TYR . 33.3 mt -65.55 -37.15 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.384 . . . . 0.57999999999999996 111.002 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -79.44 -15.99 56.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.46 110.797 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -80.89 -52.69 7.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.862 -0.608 . . . . 2.3300000000000001 109.901 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.82 112.26 16.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.616 -0.72 . . . . 1.6000000000000001 110.481 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.34 -32.31 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.013 0.435 . . . . 2.6600000000000001 110.867 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -25.95 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.982 -0.554 . . . . 1.46 111.578 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -89.05 -17.55 29.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 1.0 111.05 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -74.15 -3.22 28.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.577 0.584 . . . . 2.4199999999999999 112.577 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.15 -28.47 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.751 -0.463 . . . . 2.4399999999999999 109.751 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.79 -16.78 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.891 -0.595 . . . . 0.87 110.99 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.495 ' CD1' HD13 ' A' ' 82' ' ' LEU . 64.5 t80 -99.0 128.41 45.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 1.1399999999999999 110.291 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 70' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 116.099 -0.501 . . . . 1.4199999999999999 110.261 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 121.387 0.613 . . . . 2.9100000000000001 111.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.43 96.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -85.44 131.31 34.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.884 -0.598 . . . . 2.23 109.576 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -111.81 128.75 56.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.906 0.384 . . . . 2.52 110.375 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.76 145.51 10.93 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.818 -0.706 . . . . 1.04 112.447 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 39.75 52.8 2.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.216 1.007 . . . . 3.1899999999999999 113.259 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 82.9 m-20 59.14 38.17 23.81 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.953 -0.567 . . . . 1.3799999999999999 111.628 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB2' HG22 ' A' ' 27' ' ' THR . 29.8 ttpt -146.97 136.89 23.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.176 -0.465 . . . . 0.93999999999999995 111.144 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -105.58 117.04 33.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.991 -1.114 . . . . 0.68999999999999995 107.991 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -132.08 136.42 47.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.52 0.676 . . . . 1.1599999999999999 111.563 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.8 mt -104.03 123.04 57.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.302 -0.863 . . . . 0.92000000000000004 109.559 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 165.61 29.04 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.826 -0.625 . . . . 1.52 111.725 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.38 -14.06 58.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.243 0.544 . . . . 2.6200000000000001 110.897 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -155.4 156.59 35.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.834 -0.621 . . . . 1.6000000000000001 109.662 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.81 -39.06 73.47 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.197 0.443 . . . . 2.7200000000000002 112.197 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.69 3.29 51.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.397 0.617 . . . . 2.9199999999999999 110.705 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -118.6 30.06 7.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.394 -0.821 . . . . 2.4500000000000002 109.033 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 101.79 2.28 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.973 -1.012 . . . . 1.1899999999999999 110.197 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.25 -34.17 75.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.772 -0.649 . . . . 1.3899999999999999 110.045 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -143.94 127.19 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.578 -0.737 . . . . 0.77000000000000002 110.008 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -140.66 136.17 32.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.481 0.658 . . . . 1.3300000000000001 111.505 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 tt -124.72 130.76 73.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.276 -0.874 . . . . 0.40999999999999998 108.686 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 12' ' ' LYS . 25.2 p -110.88 135.89 50.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.59999999999999998 111.583 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.7 p90 -134.29 136.68 43.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.334 -0.617 . . . . 0.76000000000000001 109.334 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -117.33 141.96 47.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.399 -0.364 . . . . 3.6299999999999999 111.325 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -82.11 85.87 6.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.891 -0.781 . . . . 0.82999999999999996 108.891 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -74.12 -23.55 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.83999999999999997 112.02 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.77 40.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 1.74 110.519 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.3 t30 65.8 -68.0 0.13 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.662 -0.699 . . . . 2.7200000000000002 112.028 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 -17.6 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.196 0.522 . . . . 1.8400000000000001 110.242 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -94.97 118.88 32.55 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.801 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 pt -112.37 122.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.194 0.521 . . . . 0.53000000000000003 111.051 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' HA ' HG13 ' A' ' 72' ' ' ILE . 8.5 t30 -103.36 117.07 33.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.597 -0.729 . . . . 1.8200000000000001 111.067 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 73' ' ' ALA . 81.8 mt -74.94 119.4 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.038 -0.727 . . . . 0.68999999999999995 109.038 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.67 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.4700000000000002 111.344 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -144.49 172.7 12.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 2.1200000000000001 111.66 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.7 m -148.34 101.37 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.72999999999999998 109.26 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.08 131.61 10.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.342 -0.933 . . . . 0.69999999999999996 113.153 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.89 132.05 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.847 -0.427 . . . . 0.93000000000000005 109.847 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 110.036 -0.357 . . . . 1.8300000000000001 110.036 179.033 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.517 0 N-CA-C 111.751 -0.539 . . . . 1.1100000000000001 111.751 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.4 m -57.52 -36.41 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 122.479 0.312 . . . . 1.1399999999999999 111.38 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.67 99.82 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.819 -0.705 . . . . 0.58999999999999997 111.631 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.82 -34.55 73.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 2.02 109.864 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -36.68 85.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.563 -0.744 . . . . 2.5699999999999998 110.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 52' ' ' VAL . 75.1 mt -61.52 -55.65 28.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.127 -0.488 . . . . 0.85999999999999999 110.764 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.22 -36.84 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.667 . . . . 1.29 111.122 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -42.34 91.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.3899999999999999 110.372 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.28 76.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.56000000000000005 110.621 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.0 -50.23 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.44 110.541 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.41 -38.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 0.53000000000000003 111.203 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -60.84 -55.64 30.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.366 . . . . 1.76 110.521 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -62.64 -36.02 81.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.997 -0.547 . . . . 1.04 110.677 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.09 -51.02 66.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.149 -0.478 . . . . 0.84999999999999998 110.645 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -59.76 -42.26 92.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 3.1200000000000001 111.45 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -65.75 -30.72 71.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.23 0.456 . . . . 1.8200000000000001 112.23 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.31 9.94 35.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.671 0.249 . . . . 1.3999999999999999 111.671 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 55.05 45.16 26.86 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.586 0.707 . . . . 2.1800000000000002 110.759 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' ALA . 68.3 mt -92.32 144.17 25.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.669 . . . . 0.78000000000000003 110.676 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB3' HD22 ' A' ' 93' ' ' LEU . 45.5 mtmt -91.79 128.24 37.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.852 -0.796 . . . . 3.0499999999999998 108.852 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.35 122.12 50.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 113.239 0.829 . . . . 0.85999999999999999 113.239 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.446 HG13 ' HA ' ' A' ' 37' ' ' ASN . 2.9 pt -132.39 118.48 35.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.999 -1.0 . . . . 0.98999999999999999 108.48 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 38' ' ' ILE . . . -105.87 140.01 39.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.978 0.362 . . . . 0.5 111.978 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -92.6 -31.63 15.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.77 -0.65 . . . . 0.93999999999999995 110.012 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 128.43 35.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.738 -0.664 . . . . 1.3100000000000001 110.481 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -60.47 -31.03 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 1.1200000000000001 111.235 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.62 -59.08 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.94999999999999996 110.675 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -36.7 84.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.5 111.003 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 43.8 tttm -59.92 -47.02 87.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 1.27 110.45 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 61.4 t60 -66.07 -31.02 71.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 1.21 111.252 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 mtp -65.06 -36.79 85.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.918 0.39 . . . . 1.51 110.124 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.6 mt -73.01 -20.46 61.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.705 -0.68 . . . . 0.57999999999999996 110.532 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 59.9 mt-10 -84.66 -40.93 16.83 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.53 . . . . 1.46 110.312 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.82 -43.81 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.502 -0.772 . . . . 2.3300000000000001 111.036 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -83.38 110.66 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.056 0.455 . . . . 1.6000000000000001 110.313 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.5 -29.68 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.544 . . . . 2.6600000000000001 111.27 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -68.95 -22.82 64.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.419 . . . . 1.46 110.821 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.46 -29.05 19.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.566 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -59.35 -18.78 41.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.098 -0.501 . . . . 2.4199999999999999 112.119 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.18 -51.68 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.609 0.242 . . . . 2.4399999999999999 111.091 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.8 m -87.27 -23.67 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.87 111.275 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -80.01 124.1 28.41 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.571 -0.529 . . . . 1.1399999999999999 109.571 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.2 pt? . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 116.435 -0.348 . . . . 1.4199999999999999 110.605 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.68 0.276 . . . . 2.9100000000000001 110.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 HD11 ' A' ' 15' ' ' ILE . 39.8 mt -60.81 115.88 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -91.47 140.41 29.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.127 -0.488 . . . . 2.23 110.279 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -90.87 142.09 28.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.529 . . . . 2.52 110.349 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.65 14.04 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.448 -0.661 . . . . 1.04 111.448 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.88 95.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.951 0.376 . . . . 3.1899999999999999 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.53 35.37 20.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.61 -0.723 . . . . 1.3799999999999999 110.581 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -159.94 170.89 20.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.582 . . . . 0.93999999999999995 111.586 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -135.11 138.99 44.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.395 -0.965 . . . . 0.68999999999999995 108.395 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -141.09 149.29 41.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.217 0.532 . . . . 1.1599999999999999 111.915 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.569 HD11 HG12 ' A' ' 6' ' ' ILE . 48.9 mt -128.49 128.38 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.241 -0.891 . . . . 0.92000000000000004 109.045 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.9 -163.87 34.44 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.241 -0.98 . . . . 1.52 112.339 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.92 -45.64 85.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.815 0.341 . . . . 2.6200000000000001 111.709 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -161.1 174.13 14.15 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.681 -0.488 . . . . 1.6000000000000001 109.681 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.7 -33.52 75.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.196 -0.668 . . . . 2.7200000000000002 109.196 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.63 -11.8 55.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.668 -0.696 . . . . 2.9199999999999999 110.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -132.69 48.83 2.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.878 -0.601 . . . . 2.4500000000000002 109.958 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 130.96 37.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.146 0.498 . . . . 1.1899999999999999 111.916 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -81.67 -57.59 3.38 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.43 -0.952 . . . . 1.3899999999999999 108.43 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.56 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.135 -0.939 . . . . 0.77000000000000002 109.503 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -147.92 143.3 27.26 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.089 0.471 . . . . 1.3300000000000001 111.036 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.45 HG21 ' HB3' ' A' ' 56' ' ' LEU . 20.5 tt -137.75 129.84 40.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.579 -0.737 . . . . 0.40999999999999998 109.389 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 40' ' ' HIS . 76.4 p -119.11 135.53 54.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.862 0.363 . . . . 0.59999999999999998 110.875 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 22.6 p90 -131.82 110.2 10.66 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.349 -0.611 . . . . 0.76000000000000001 109.349 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 29' ' ' ARG . 6.0 mpt_? -103.99 145.59 29.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.867 -0.606 . . . . 3.6299999999999999 110.45 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -79.75 118.86 21.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.572 -0.74 . . . . 0.82999999999999996 110.936 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.462 HG21 HD11 ' A' ' 72' ' ' ILE . 6.8 m -93.64 -14.52 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.748 -0.834 . . . . 0.83999999999999997 108.748 177.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' A' ' 33' ' ' ASN . 14.0 t70 -152.9 -158.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.357 -1.292 . . . . 1.74 108.182 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 80.4 m-20 -87.3 -40.22 14.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.988 0.423 . . . . 2.7200000000000002 110.692 -179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -118.12 24.96 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.209 -0.45 . . . . 1.8400000000000001 110.789 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.04 127.42 32.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 2.25 110.373 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.5 pt -124.01 150.76 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.53000000000000003 110.976 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -125.4 135.64 52.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 1.8200000000000001 110.617 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 27' ' ' THR . 67.6 mt -99.58 100.43 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.879 -0.786 . . . . 0.68999999999999995 108.879 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 -23.5 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.638 0.607 . . . . 2.4700000000000002 112.638 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.62 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 6.8 m80 -127.24 134.02 50.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.256 0.551 . . . . 2.1200000000000001 112.174 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.43 85.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.115 -0.948 . . . . 0.72999999999999998 108.894 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.87 137.81 12.67 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.529 -0.843 . . . . 0.69999999999999996 112.403 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.62 97.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.382 -0.599 . . . . 0.93000000000000005 109.382 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.316 -0.876 0 CA-C-N 115.864 -0.607 . . . . 1.8300000000000001 109.816 179.826 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 1.1100000000000001 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -76.92 -26.08 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.892 0.377 . . . . 1.1399999999999999 110.733 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.91 -27.56 71.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.886 -0.673 . . . . 0.58999999999999997 111.984 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -64.79 -37.19 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 2.02 110.716 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -74.13 -31.76 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 2.5699999999999998 110.684 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HB3' HG21 ' A' ' 26' ' ' ILE . 84.5 mt -69.13 -50.9 43.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.85999999999999999 110.883 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.67 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.29 110.894 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -58.55 -42.56 88.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 1.3899999999999999 110.99 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.83 95.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.56000000000000005 110.755 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.83 -45.56 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.53 . . . . 0.44 110.273 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.47 -45.29 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.53000000000000003 110.229 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.54 -45.45 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.618 -0.719 . . . . 1.76 110.947 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -64.51 -40.67 96.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.564 . . . . 1.04 110.331 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.14 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.84999999999999998 110.888 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -60.86 -40.06 91.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.901 0.382 . . . . 3.1200000000000001 110.861 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -69.01 -35.05 76.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.443 0.534 . . . . 1.8200000000000001 112.443 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -103.44 9.46 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.21 0.448 . . . . 1.3999999999999999 112.21 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 56.92 56.64 5.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.198 0.523 . . . . 2.1800000000000002 110.685 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.1 mt -112.53 148.09 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.651 -0.704 . . . . 0.78000000000000003 110.631 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HB3' HD11 ' A' ' 93' ' ' LEU . 4.8 mptp? -95.17 137.61 33.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.945 -0.761 . . . . 3.0499999999999998 108.945 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.91 123.56 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.702 0.63 . . . . 0.85999999999999999 112.702 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 31' ' ' VAL . 2.3 pt -124.45 96.13 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.43 -0.805 . . . . 0.98999999999999999 108.834 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.65 117.18 18.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.066 -0.515 . . . . 0.5 111.911 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -85.15 -20.43 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.93999999999999995 109.482 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 139.27 33.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.41 -0.814 . . . . 1.3100000000000001 109.47 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 m -61.15 -45.94 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.875 0.695 . . . . 1.1200000000000001 112.875 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.3 -51.77 68.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.366 0.506 . . . . 0.94999999999999996 112.366 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.81 83.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.5 111.135 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.44 -35.67 81.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 1.27 110.788 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -59.5 -41.69 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.738 -0.665 . . . . 1.21 111.204 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.6 ttm -77.23 -36.83 54.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.435 -0.348 . . . . 1.51 111.102 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 88' ' ' TYR . 84.3 mt -59.71 -40.08 86.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.57999999999999996 111.311 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.54 -15.94 58.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 1.46 111.98 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -89.37 -50.39 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.865 0.364 . . . . 2.3300000000000001 111.065 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.31 120.69 19.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 1.6000000000000001 110.413 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -63.96 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 2.6600000000000001 111.151 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -34.04 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.089 0.471 . . . . 1.46 110.851 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HB3' HD23 ' A' ' 82' ' ' LEU . 9.7 m-30 -77.43 -21.78 52.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.616 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.0 mt-30 -70.52 -5.83 31.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 2.4199999999999999 111.305 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.88 -45.97 47.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.966 -0.561 . . . . 2.4399999999999999 110.45 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.71 -7.19 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.093 0.473 . . . . 0.87 110.954 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.469 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 72.0 t80 -89.07 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 1.1399999999999999 109.931 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 70' ' ' LYS . 5.8 mp . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.398 -0.365 . . . . 1.4199999999999999 111.529 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 121.405 0.621 . . . . 2.9100000000000001 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 mt -78.32 95.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.059 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -88.84 121.89 31.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 2.23 109.453 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -98.18 159.41 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.381 -0.372 . . . . 2.52 110.622 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.55 150.37 5.64 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.78 -0.724 . . . . 1.04 112.416 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 42.48 43.79 3.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.226 1.011 . . . . 3.1899999999999999 113.259 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 61.6 m-20 58.4 41.07 23.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.071 0.462 . . . . 1.3799999999999999 110.815 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -150.99 138.67 19.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.111 -0.495 . . . . 0.93999999999999995 111.33 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -106.82 111.96 24.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.482 -0.933 . . . . 0.68999999999999995 108.482 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.468 0.651 . . . . 1.1599999999999999 111.366 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mt -107.33 121.72 60.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.418 -0.81 . . . . 0.92000000000000004 109.7 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.79 175.39 37.56 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.843 -0.617 . . . . 1.52 111.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.19 -28.52 29.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.1 0.476 . . . . 2.6200000000000001 110.934 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -143.34 158.39 43.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.036 -0.529 . . . . 1.6000000000000001 109.858 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -61.35 -32.88 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.747 -0.206 . . . . 2.7200000000000002 111.337 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -91.82 10.42 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.207 0.527 . . . . 2.9199999999999999 110.489 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -136.45 36.68 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 2.4500000000000002 109.613 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.74 128.17 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.765 -0.652 . . . . 1.1899999999999999 110.667 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -85.56 -22.67 27.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.246 0.546 . . . . 1.3899999999999999 109.801 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.72 136.09 11.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.77000000000000002 110.528 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.85 139.68 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.352 0.596 . . . . 1.3300000000000001 111.743 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 tt -125.48 131.07 72.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.92 -0.77 . . . . 0.40999999999999998 108.92 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -110.12 133.96 52.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.168 0.509 . . . . 0.59999999999999998 111.553 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 24.2 p90 -138.98 126.58 21.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.573 -0.74 . . . . 0.76000000000000001 109.478 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -114.0 143.87 44.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.012 0.434 . . . . 3.6299999999999999 111.868 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -85.19 94.33 8.87 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.243 -1.021 . . . . 0.82999999999999996 108.243 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.9 m -86.2 -20.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 0.83999999999999997 112.357 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -149.57 33.03 0.7 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.74 110.851 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 67.35 -72.65 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.68 -0.691 . . . . 2.7200000000000002 111.444 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.65 23.15 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 1.8400000000000001 110.783 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.81 115.38 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 2.25 109.602 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pt -106.92 122.48 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.171 0.51 . . . . 0.53000000000000003 110.909 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.59 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.5 t-20 -100.32 117.32 34.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.348 -0.842 . . . . 1.8200000000000001 110.367 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -86.03 117.17 30.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.619 . . . . 0.68999999999999995 109.642 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.04 -60.49 2.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 2.4700000000000002 111.271 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -145.15 165.76 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 2.1200000000000001 111.955 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -137.51 88.83 2.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.162 -0.926 . . . . 0.72999999999999998 109.032 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.57 102.63 2.86 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.683 -0.77 . . . . 0.69999999999999996 112.186 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.501 HG21 ' HA2' ' A' ' 53' ' ' GLY . 42.4 t -122.25 131.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 110.313 -0.254 . . . . 0.93000000000000005 110.313 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.424 0.631 . . . . 1.8300000000000001 109.961 178.775 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.254 -0.192 . . . . 1.1100000000000001 112.7 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.78 -43.58 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 122.472 0.309 . . . . 1.1399999999999999 111.136 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 43' ' ' VAL . . . -65.3 -41.63 96.57 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.826 -0.702 . . . . 0.58999999999999997 112.421 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -68.55 -38.66 80.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.345 0.593 . . . . 2.02 109.916 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.109 -0.95 . . . . 2.5699999999999998 111.244 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.1 mt -61.62 -47.9 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.85999999999999999 110.878 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.06 -38.38 90.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 1.29 110.703 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -44.92 86.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.772 -0.649 . . . . 1.3899999999999999 110.515 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.84 78.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.56000000000000005 111.076 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 56' ' ' LEU . 50.2 t -69.25 -50.86 48.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.44 110.314 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 88' ' ' TYR . 94.1 t -57.76 -42.15 81.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.991 -0.549 . . . . 0.53000000000000003 111.002 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 5.3 mt-10 -57.67 -55.42 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.76 110.876 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.97 -35.47 80.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 1.04 110.433 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.11 -52.08 66.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.84999999999999998 110.734 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.67 -32.01 72.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 3.1200000000000001 111.083 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 54.7 mt-10 -68.5 -27.43 66.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 1.8200000000000001 111.292 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -111.37 11.97 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.164 -0.471 . . . . 1.3999999999999999 111.662 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 57.82 31.64 20.79 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.676 0.75 . . . . 2.1800000000000002 110.754 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 64' ' ' ALA . 39.0 mt -81.57 128.6 34.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.78000000000000003 110.367 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.747 ' HB3' HD22 ' A' ' 93' ' ' LEU . 28.3 mtmt -82.86 139.78 33.27 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.57 -0.9 . . . . 3.0499999999999998 108.57 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -108.64 127.66 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 112.958 0.725 . . . . 0.85999999999999999 112.958 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -130.68 105.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.718 -1.128 . . . . 0.98999999999999999 108.881 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.72 135.04 37.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.909 0.385 . . . . 0.5 111.559 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.8 m -87.7 -22.77 24.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.554 . . . . 0.93999999999999995 109.833 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 132.94 36.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.3100000000000001 110.672 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -43.2 94.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.106 -0.497 . . . . 1.1200000000000001 111.332 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.18 -53.8 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 0.94999999999999996 111.098 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.95 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.5 111.106 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -62.25 -39.93 94.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.528 . . . . 1.27 110.411 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 80.8 t60 -65.15 -38.22 89.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 1.21 110.719 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.8 mmm -64.5 -38.74 92.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.231 0.538 . . . . 1.51 110.086 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.1 mt -68.91 -37.0 78.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.352 -0.84 . . . . 0.57999999999999996 111.402 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 10.1 pt-20 -78.55 -17.45 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.802 0.334 . . . . 1.46 110.765 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -79.99 -55.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 2.3300000000000001 110.775 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 85' ' ' GLU . 1.2 tp10 -75.64 130.15 38.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.352 -0.385 . . . . 1.6000000000000001 111.021 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.5 -41.48 96.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 2.6600000000000001 110.717 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -30.02 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 1.46 110.905 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.405 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.5 m-30 -77.17 -34.91 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.237 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -64.64 -16.28 62.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.124 -0.489 . . . . 2.4199999999999999 111.677 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.24 -47.99 74.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.361 . . . . 2.4399999999999999 110.234 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.77 -25.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.154 -0.475 . . . . 0.87 111.315 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -77.27 118.08 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.798 -0.445 . . . . 1.1399999999999999 109.798 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.773 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 116.094 -0.503 . . . . 1.4199999999999999 110.551 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.887 -0.412 . . . . 2.9100000000000001 109.887 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' A' ' 55' ' ' LYS . 45.7 mt -73.92 95.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.995 0.426 . . . . 1.0 111.119 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -82.58 124.07 29.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.397 -0.594 . . . . 2.23 109.397 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -101.66 128.42 47.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.203 0.525 . . . . 2.52 110.647 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.94 -159.83 11.18 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.206 -0.906 . . . . 1.04 111.278 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.28 92.64 0.02 OUTLIER 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.773 0.429 . . . . 3.1899999999999999 111.318 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 52.29 46.55 26.45 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.747 -0.66 . . . . 1.3799999999999999 110.964 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -165.29 158.19 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.93999999999999995 111.343 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -123.57 134.17 53.86 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.576 -0.898 . . . . 0.68999999999999995 108.576 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -144.11 146.47 32.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.049 0.452 . . . . 1.1599999999999999 111.295 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.632 HG13 HD21 ' A' ' 56' ' ' LEU . 86.4 mt -130.57 125.99 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.79 -0.641 . . . . 0.92000000000000004 109.597 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.43 -173.42 46.23 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.421 -0.895 . . . . 1.52 112.283 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -77.57 -34.69 53.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.343 0.592 . . . . 2.6200000000000001 110.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -148.11 168.95 21.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.293 -0.867 . . . . 1.6000000000000001 109.283 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.8 -40.28 79.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.997 0.427 . . . . 2.7200000000000002 110.091 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -85.77 -24.27 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 2.9199999999999999 110.07 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -95.73 40.31 1.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 2.4500000000000002 109.886 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 124.42 27.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.747 -0.66 . . . . 1.1899999999999999 110.388 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.27 -24.13 43.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.626 0.727 . . . . 1.3899999999999999 109.451 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.18 133.71 7.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.726 -1.125 . . . . 0.77000000000000002 109.376 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -145.21 132.89 20.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.957 0.408 . . . . 1.3300000000000001 111.229 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.58 127.45 70.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.793 -0.639 . . . . 0.40999999999999998 109.533 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 p -115.58 148.07 40.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.602 -0.272 . . . . 0.59999999999999998 111.213 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 37.3 p90 -142.84 161.6 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.602 -0.518 . . . . 0.76000000000000001 109.602 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.89 157.04 43.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.718 0.294 . . . . 3.6299999999999999 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -88.44 120.37 29.75 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.52 -0.548 . . . . 0.82999999999999996 109.52 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.4 m -90.23 -37.99 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.83999999999999997 111.647 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -132.0 -81.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.926 -0.31 . . . . 1.74 111.483 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.21 -78.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.013 0.375 . . . . 2.7200000000000002 112.013 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 89.8 m-20 -105.85 3.15 28.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.03 0.443 . . . . 1.8400000000000001 110.787 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -86.39 118.45 25.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.907 -0.588 . . . . 2.25 110.666 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -108.03 123.11 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.113 -0.494 . . . . 0.53000000000000003 110.503 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.7 t30 -98.05 127.45 44.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.84 -0.618 . . . . 1.8200000000000001 112.016 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.76 106.26 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 107.796 -1.187 . . . . 0.68999999999999995 107.796 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 0.3 OUTLIER -104.64 -34.54 8.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.632 0.604 . . . . 2.4700000000000002 112.632 -177.608 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -115.11 135.25 54.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.381 0.61 . . . . 2.1200000000000001 111.939 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -150.34 111.06 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.126 -0.943 . . . . 0.72999999999999998 109.208 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.05 127.3 6.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.67 -0.776 . . . . 0.69999999999999996 112.22 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.87 134.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.012 -0.366 . . . . 0.93000000000000005 110.012 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.548 . . . . 1.8300000000000001 109.781 179.132 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 112.034 -0.426 . . . . 1.1100000000000001 112.034 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 t -62.26 -50.75 78.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 1.1399999999999999 110.603 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -33.52 86.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.906 -0.664 . . . . 0.58999999999999997 112.191 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -70.67 -40.57 72.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 2.02 110.124 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.7 ttpt -67.18 -34.94 78.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 2.5699999999999998 109.788 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.632 HD21 HG13 ' A' ' 15' ' ' ILE . 28.6 mt -64.82 -47.86 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 0.85999999999999999 109.828 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.21 -34.04 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 1.29 110.008 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.16 -42.74 95.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 1.3899999999999999 109.849 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.5 92.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.56000000000000005 110.101 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.51 -48.05 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.94 -0.573 . . . . 0.44 109.782 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.39 -41.22 91.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 115.852 -0.613 . . . . 0.53000000000000003 110.612 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 1.9 tp10 -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.049 -0.523 . . . . 1.76 110.167 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -64.39 -30.33 71.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.836 -0.62 . . . . 1.04 111.179 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.78 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.84999999999999998 110.286 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.51 -34.44 77.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 3.1200000000000001 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.5 mt-10 -66.79 -30.64 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 1.8200000000000001 111.796 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -110.85 8.27 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.079 0.399 . . . . 1.3999999999999999 112.079 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.9 t30 57.32 39.16 28.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.659 0.742 . . . . 2.1800000000000002 110.359 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 77.4 mt -86.76 152.89 22.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.476 -0.783 . . . . 0.78000000000000003 110.877 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.6 mptt -108.69 121.95 46.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.854 -0.795 . . . . 3.0499999999999998 108.854 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mt -87.33 127.2 40.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.352 0.596 . . . . 0.85999999999999999 112.055 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.6 pt -133.29 91.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.961 -1.018 . . . . 0.98999999999999999 108.707 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.25 122.77 32.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.574 0.583 . . . . 0.5 112.574 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 m -92.04 -23.68 19.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.93999999999999995 108.818 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 7.1 t -63.87 124.98 22.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.265 -0.88 . . . . 1.3100000000000001 109.194 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -44.53 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.376 0.51 . . . . 1.1200000000000001 112.376 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.84 -51.52 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.94999999999999996 111.146 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.2 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.5 110.939 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.36 -46.27 89.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 1.27 110.414 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.27 -42.88 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 1.21 111.591 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.8 ttp -74.72 -37.85 62.45 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.736 -0.386 . . . . 1.51 111.239 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -41.08 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.419 -0.355 . . . . 0.57999999999999996 111.199 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -76.74 -26.93 55.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.726 -0.472 . . . . 1.46 109.726 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -70.03 -45.86 66.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 2.3300000000000001 110.106 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.03 98.42 11.26 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.632 -0.713 . . . . 1.6000000000000001 110.237 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.45 -28.27 65.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.143 0.497 . . . . 2.6600000000000001 110.664 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -27.3 68.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.598 -0.728 . . . . 1.46 111.958 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -92.04 -2.73 56.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.68 0.276 . . . . 1.0 111.435 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -80.22 7.05 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.234 0.457 . . . . 2.4199999999999999 112.234 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.62 -25.12 38.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.203 -0.666 . . . . 2.4399999999999999 109.203 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 m -119.35 -22.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.87 110.079 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -89.16 131.27 35.37 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.002 -0.74 . . . . 1.1399999999999999 109.002 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 111.931 0.345 . . . . 1.4199999999999999 111.931 -178.885 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 . . . . . 0 N--CA 1.447 -0.614 0 N-CA-C 109.945 -0.391 . . . . 2.9100000000000001 109.945 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -68.42 102.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -86.42 132.45 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.512 -0.551 . . . . 2.23 109.512 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -87.43 137.02 32.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.095 0.474 . . . . 2.52 110.745 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.38 -167.21 12.17 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.205 -0.758 . . . . 1.04 111.205 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.56 97.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.832 0.316 . . . . 3.1899999999999999 111.154 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.49 36.11 27.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.663 -0.698 . . . . 1.3799999999999999 110.905 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 51.1 pttt -163.1 173.0 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.93999999999999995 111.753 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -128.92 138.41 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.403 -0.962 . . . . 0.68999999999999995 108.403 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -152.23 154.97 36.84 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.664 -0.415 . . . . 1.1599999999999999 111.442 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.6 mt -127.15 136.64 60.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 0.92000000000000004 109.386 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.58 169.2 12.56 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.033 -0.603 . . . . 1.52 111.619 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.06 -59.81 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.32 . . . . 2.6200000000000001 110.983 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.59 162.78 25.67 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.364 -0.606 . . . . 1.6000000000000001 109.364 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -60.8 -39.85 90.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.554 0.216 . . . . 2.7200000000000002 111.442 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.01 -32.03 73.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.117 0.484 . . . . 2.9199999999999999 111.168 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -111.34 27.26 9.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 2.4500000000000002 110.64 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.03 129.85 41.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.561 . . . . 1.1899999999999999 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.41 -42.07 98.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.433 -0.58 . . . . 1.3899999999999999 109.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -159.01 145.71 17.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.77000000000000002 110.666 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -146.17 146.21 30.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.015 0.436 . . . . 1.3300000000000001 110.473 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 16.7 tt -133.63 133.18 57.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.40999999999999998 109.386 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 p -111.19 140.88 45.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.646 0.26 . . . . 0.59999999999999998 111.253 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.2 p90 -136.41 150.56 48.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.76000000000000001 110.437 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -142.12 160.95 39.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 3.6299999999999999 110.488 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -91.26 109.37 20.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.82999999999999996 109.873 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 35' ' ' GLU . 6.6 m -76.67 -25.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.83999999999999997 110.459 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.32 -79.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.928 -0.578 . . . . 1.74 110.078 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -158.93 -56.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 2.7200000000000002 110.484 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -99.73 19.04 16.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.8400000000000001 109.923 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 31' ' ' VAL . 1.7 mt-10 -131.98 126.41 33.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.887 -0.597 . . . . 2.25 110.409 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 pt -120.22 133.53 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.948 0.404 . . . . 0.53000000000000003 110.464 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.6 p-10 -108.09 144.13 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.979 -0.555 . . . . 1.8200000000000001 110.957 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -91.44 101.21 12.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.912 -0.773 . . . . 0.68999999999999995 108.912 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -55.48 -63.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 2.4700000000000002 111.462 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -145.06 164.18 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.076 0.465 . . . . 2.1200000000000001 111.156 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -142.33 117.99 10.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.532 -0.758 . . . . 0.72999999999999998 109.287 179.289 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.47 135.33 8.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.527 -0.844 . . . . 0.69999999999999996 112.503 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 24' ' ' ALA . 38.4 t -132.66 142.85 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.93000000000000005 109.443 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.323 -0.58 0 N-CA-C 110.068 -0.345 . . . . 1.8300000000000001 110.068 179.716 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' HA2' ' HE3' ' A' ' 54' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.231 0 N-CA-C 113.531 0.172 . . . . 1.1100000000000001 113.531 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 t -61.15 -52.24 63.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 1.1399999999999999 111.042 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.11 -29.61 74.94 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.871 -0.68 . . . . 0.58999999999999997 112.459 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 21.4 mtmt -73.54 -29.79 62.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 2.02 110.52 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -67.71 -37.1 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 2.5699999999999998 109.814 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.91 -48.46 76.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.597 -0.728 . . . . 0.85999999999999999 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.02 -35.87 76.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.649 -0.705 . . . . 1.29 110.808 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.15 -47.31 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 1.3899999999999999 110.477 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.7 94.14 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.564 . . . . 0.56000000000000005 111.271 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.08 -52.09 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.561 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 88' ' ' TYR . 71.7 t -62.92 -38.09 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.53000000000000003 110.713 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 16.3 mt-10 -59.14 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.445 -0.343 . . . . 1.76 110.368 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.563 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.7 t60 -63.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.452 . . . . 1.04 110.256 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.62 -29.3 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.84999999999999998 110.122 178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -75.51 -35.33 60.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 3.1200000000000001 109.915 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.563 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 45.0 mt-10 -72.41 -48.68 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.344 -0.844 . . . . 1.8200000000000001 111.609 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.423 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 11.0 m120 -92.33 -1.38 57.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.148 0.425 . . . . 1.3999999999999999 112.148 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 60.98 38.01 17.73 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.953 0.406 . . . . 2.1800000000000002 111.074 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -82.6 161.27 22.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.887 -0.597 . . . . 0.78000000000000003 111.887 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -96.92 139.33 33.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.442 -0.799 . . . . 3.0499999999999998 108.85 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 35.9 mm -106.25 122.22 59.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.098 0.475 . . . . 0.85999999999999999 111.589 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -132.99 137.14 54.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.542 -0.91 . . . . 0.98999999999999999 108.542 177.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.11 132.07 55.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 0.5 112.507 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -102.08 -0.11 34.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.592 -0.731 . . . . 0.93999999999999995 109.339 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 7.5 t -111.03 137.2 48.95 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.284 -0.871 . . . . 1.3100000000000001 110.301 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.1 m -59.38 -44.71 92.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 1.1200000000000001 112.227 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.64 -53.87 52.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 0.94999999999999996 111.363 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB2' ' OG1' ' A' ' 41' ' ' THR . . . -58.57 -41.09 84.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.5 111.057 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -60.45 -46.45 90.0 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.094 -0.336 . . . . 1.27 110.094 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.65 -41.68 91.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 1.21 110.475 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.1 mmm -65.57 -43.78 88.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.967 -0.561 . . . . 1.51 111.004 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 92' ' ' TYR . 49.3 mt -68.5 -31.84 71.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.57999999999999996 110.932 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -77.58 -25.58 50.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 1.46 109.816 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -75.58 -52.72 9.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 2.3300000000000001 110.696 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 108.33 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.222 -0.445 . . . . 1.6000000000000001 110.649 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.86 -26.82 68.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.956 -0.565 . . . . 2.6600000000000001 111.042 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -38.4 86.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 1.46 110.421 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 61' ' ' VAL . 13.9 m-30 -80.55 -29.14 37.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.444 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -68.41 -9.54 49.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.371 -0.831 . . . . 2.4199999999999999 111.4 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.54 -40.15 88.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.291 0.567 . . . . 2.4399999999999999 109.685 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m -103.87 -18.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.87 110.911 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.505 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.1 t80 -86.13 133.0 33.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 1.1399999999999999 109.998 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.116 -0.493 . . . . 1.4199999999999999 110.743 -179.813 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.788 0.328 . . . . 2.9100000000000001 111.409 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -82.78 86.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 1.0 109.764 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 7.1 mmmm -71.94 130.27 40.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.709 -0.678 . . . . 2.23 110.254 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -106.73 128.28 54.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.297 0.57 . . . . 2.52 110.502 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.83 -151.18 8.75 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.449 -0.796 . . . . 1.04 111.631 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.7 87.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.585 0.354 . . . . 3.1899999999999999 110.641 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.417 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.4 m-80 51.2 44.0 28.95 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.681 -0.691 . . . . 1.3799999999999999 110.532 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -153.82 158.69 41.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.655 -0.702 . . . . 0.93999999999999995 111.054 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.57 133.23 53.35 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.391 -0.966 . . . . 0.68999999999999995 108.391 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 14.7 p90 -147.58 148.43 31.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.323 0.582 . . . . 1.1599999999999999 111.556 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -126.28 121.3 58.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.442 -0.799 . . . . 0.92000000000000004 109.169 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.93 175.37 45.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.288 -0.958 . . . . 1.52 112.301 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.81 -42.73 69.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.421 0.629 . . . . 2.6200000000000001 110.634 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 21' ' ' ASN . 24.0 t70 -136.93 165.52 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.116 -0.947 . . . . 1.6000000000000001 109.595 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.31 -41.77 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.404 . . . . 2.7200000000000002 110.999 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -82.14 -19.11 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.422 0.629 . . . . 2.9199999999999999 110.14 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' HB2' ' H ' ' A' ' 18' ' ' ASP . 6.1 m-20 -100.23 41.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.577 -0.738 . . . . 2.4500000000000002 110.118 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.12 110.82 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 1.1899999999999999 110.757 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.5 mt -72.69 -26.47 61.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.11 -0.495 . . . . 1.3899999999999999 110.175 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -148.96 130.74 15.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.699 -0.682 . . . . 0.77000000000000002 109.773 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.73 142.91 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.005 0.431 . . . . 1.3300000000000001 111.207 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -139.87 135.93 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.665 -0.698 . . . . 0.40999999999999998 109.122 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 145.13 48.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.83 0.348 . . . . 0.59999999999999998 111.656 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -140.49 161.79 36.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.813 -0.631 . . . . 0.76000000000000001 109.344 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -151.93 152.69 32.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.669 0.271 . . . . 3.6299999999999999 110.393 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -87.42 113.48 23.16 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.407 -0.59 . . . . 0.82999999999999996 109.407 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.21 -27.01 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.83999999999999997 111.969 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -142.79 -76.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.572 -0.451 . . . . 1.74 111.589 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -134.38 -60.19 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.571 0.582 . . . . 2.7200000000000002 112.571 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -117.81 -2.18 11.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 1.8400000000000001 111.401 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -86.84 114.82 23.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.28 -0.418 . . . . 2.25 111.4 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 pt -103.2 120.4 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.87 -0.605 . . . . 0.53000000000000003 109.861 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.2 t30 -103.67 120.02 40.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.8200000000000001 111.729 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -82.11 114.04 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.647 -0.871 . . . . 0.68999999999999995 108.647 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 30.1 t70 -100.58 -54.18 2.9 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.264 0.838 . . . . 2.4700000000000002 113.264 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -111.79 141.37 45.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.507 0.67 . . . . 2.1200000000000001 112.06 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.61 143.09 31.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.983 -1.008 . . . . 0.72999999999999998 108.503 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.89 114.07 0.59 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 119.338 -1.41 . . . . 0.69999999999999996 113.822 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 24' ' ' ALA . 8.5 t -123.37 144.61 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.29 -1.004 . . . . 0.93000000000000005 108.29 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.329 0.585 . . . . 1.8300000000000001 110.893 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 111.862 -0.495 . . . . 1.1100000000000001 111.862 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 t -57.83 -44.82 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 1.1399999999999999 110.809 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.3 -33.32 86.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.93 -0.652 . . . . 0.58999999999999997 112.153 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -74.05 -35.28 64.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.685 0.278 . . . . 2.02 110.418 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -58.71 -50.27 74.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.192 -0.458 . . . . 2.5699999999999998 111.688 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -66.05 -43.92 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.143 -0.223 . . . . 0.85999999999999999 111.577 -179.349 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.95 -40.07 95.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.103 0.478 . . . . 1.29 110.196 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.536 ' HG2' ' OE2' ' A' ' 62' ' ' GLU . 26.9 ttpp -58.61 -41.55 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 1.3899999999999999 110.401 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.98 77.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.845 -0.616 . . . . 0.56000000000000005 110.942 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -67.77 -43.31 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.579 -0.526 . . . . 0.44 109.579 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.5 t -64.24 -42.46 95.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.514 -0.766 . . . . 0.53000000000000003 110.554 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.536 ' OE2' ' HG2' ' A' ' 58' ' ' LYS . 52.1 mt-10 -64.98 -47.01 79.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.564 -0.744 . . . . 1.76 111.266 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -66.13 -31.67 72.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.155 -0.475 . . . . 1.04 110.447 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -60.83 -46.85 88.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.84999999999999998 110.442 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.1 -33.85 76.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 3.1200000000000001 110.772 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.74 -38.94 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 1.8200000000000001 111.378 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.55 12.33 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.104 0.409 . . . . 1.3999999999999999 112.104 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 56.81 38.18 29.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.501 0.667 . . . . 2.1800000000000002 110.693 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 64' ' ' ALA . 52.6 mt -81.72 161.65 23.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.568 -0.742 . . . . 0.78000000000000003 111.03 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.1 mptt -110.08 130.21 55.57 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.589 -0.893 . . . . 3.0499999999999998 108.589 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 61' ' ' VAL . 54.8 mt -100.71 127.46 53.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.732 0.777 . . . . 0.85999999999999999 112.622 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -135.18 158.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.395 -1.275 . . . . 0.98999999999999999 107.628 177.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.77 136.29 20.42 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.961 -0.696 . . . . 0.5 112.478 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 p -98.32 -22.14 16.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.749 -0.834 . . . . 0.93999999999999995 108.749 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 7.5 t -71.4 130.6 41.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.964 -1.016 . . . . 1.3100000000000001 110.029 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -46.12 91.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 1.1200000000000001 111.386 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.57 -49.77 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.94999999999999996 110.872 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -45.88 93.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.5 111.009 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -64.37 -41.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 1.27 110.269 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -58.66 -40.54 83.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.409 -0.36 . . . . 1.21 110.504 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mtp -64.48 -41.41 96.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 1.51 110.198 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.4 -38.2 74.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.57999999999999996 110.77 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.33 -39.62 81.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 1.46 110.997 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -72.69 -36.02 67.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 2.3300000000000001 110.684 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.01 84.65 6.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.322 -0.622 . . . . 1.6000000000000001 109.322 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.84 -25.07 62.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.171 -0.468 . . . . 2.6600000000000001 111.526 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -9.94 59.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.034 -0.53 . . . . 1.46 111.163 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -96.17 -2.72 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.089 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.9 6.37 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.452 . . . . 2.4199999999999999 110.975 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -26.53 58.06 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.344 -0.613 . . . . 2.4399999999999999 109.344 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.87 -22.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.651 -0.704 . . . . 0.87 110.691 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -86.45 132.52 33.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.1399999999999999 110.256 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 1.4199999999999999 111.383 -179.466 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.705 0.288 . . . . 2.9100000000000001 110.749 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -80.76 109.09 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.741 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -94.24 125.58 38.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.392 -0.367 . . . . 2.23 110.448 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -88.12 114.48 24.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.482 0.658 . . . . 2.52 109.783 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.1 -161.55 22.71 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.263 -0.88 . . . . 1.04 111.774 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.03 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 3.1899999999999999 110.545 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 52.36 43.23 31.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.583 -0.735 . . . . 1.3799999999999999 110.496 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -160.13 172.37 17.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.93999999999999995 111.256 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -132.84 128.1 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.27 -1.011 . . . . 0.68999999999999995 108.27 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.96 152.72 46.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.06 0.457 . . . . 1.1599999999999999 111.269 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.79 134.61 53.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.403 -0.817 . . . . 0.92000000000000004 109.473 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 -169.75 41.57 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.173 -1.013 . . . . 1.52 112.597 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.98 -31.08 50.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.344 0.592 . . . . 2.6200000000000001 110.097 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -159.17 170.73 21.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.033 -0.985 . . . . 1.6000000000000001 108.687 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.75 -35.77 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.221 0.534 . . . . 2.7200000000000002 110.047 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -86.45 -22.9 26.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.288 0.566 . . . . 2.9199999999999999 110.125 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -101.55 44.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.694 . . . . 2.4500000000000002 109.546 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.04 131.27 41.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.544 -0.753 . . . . 1.1899999999999999 111.24 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -96.4 -15.55 21.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.846 -0.615 . . . . 1.3899999999999999 109.641 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.96 134.99 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.77000000000000002 109.048 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -153.23 134.87 14.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.247 0.546 . . . . 1.3300000000000001 112.028 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -128.75 130.01 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.324 -0.853 . . . . 0.40999999999999998 109.042 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -119.71 142.96 48.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 0.59999999999999998 111.41 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -143.67 167.91 21.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.35 -0.611 . . . . 0.76000000000000001 109.35 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 154.05 34.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.68 0.276 . . . . 3.6299999999999999 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -80.37 103.13 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.82999999999999996 109.249 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.29 -31.93 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.435 -0.348 . . . . 0.83999999999999997 111.627 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -130.76 -88.89 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.35 -0.54 . . . . 1.74 111.698 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -126.31 -57.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.827 -0.349 . . . . 2.7200000000000002 111.796 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -121.6 4.78 10.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 1.8400000000000001 110.203 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -94.2 116.81 29.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.341 -0.845 . . . . 2.25 111.319 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 pt -106.86 124.55 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.726 -0.67 . . . . 0.53000000000000003 109.598 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.8 t30 -105.99 131.09 53.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.155 -0.475 . . . . 1.8200000000000001 111.8 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.63 119.53 33.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.885 -0.598 . . . . 0.68999999999999995 109.662 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.12 -26.03 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 2.4700000000000002 111.943 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -143.84 135.06 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.56 . . . . 2.1200000000000001 111.728 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.58 103.75 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 0.72999999999999998 109.774 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.05 137.03 9.49 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.323 -0.942 . . . . 0.69999999999999996 112.784 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.72 132.1 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.404 -0.591 . . . . 0.93000000000000005 109.404 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 121.265 0.555 . . . . 1.8300000000000001 111.216 -179.283 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.627 0 N-CA-C 111.591 -0.604 . . . . 1.1100000000000001 111.591 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.77 -31.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 1.1399999999999999 110.595 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.01 95.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.949 -0.643 . . . . 0.58999999999999997 111.999 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -71.09 -34.07 70.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.757 -0.46 . . . . 2.02 109.757 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -70.17 -36.88 75.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.747 -0.66 . . . . 2.5699999999999998 109.81 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 60' ' ' VAL . 13.1 mt -66.16 -46.64 76.7 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.313 -0.625 . . . . 0.85999999999999999 109.313 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 tp -62.41 -34.69 77.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.588 -0.733 . . . . 1.29 109.433 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -61.37 -44.81 96.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.683 -0.69 . . . . 1.3899999999999999 109.615 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.46 98.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.781 -0.645 . . . . 0.56000000000000005 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 56' ' ' LEU . 59.9 t -62.76 -46.16 97.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.44 109.74 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 91' ' ' VAL . 50.9 t -62.18 -44.74 99.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.751 -0.659 . . . . 0.53000000000000003 110.584 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.24 -50.06 75.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 1.76 110.166 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -62.17 -40.37 95.79 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.779 -0.646 . . . . 1.04 110.752 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.645 . . . . 0.84999999999999998 110.998 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.63 -40.96 89.34 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.052 0.22 . . . . 3.1200000000000001 111.014 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.72 -27.71 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 1.8200000000000001 111.484 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -109.24 10.16 25.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.366 -0.379 . . . . 1.3999999999999999 111.323 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 t30 56.19 34.79 24.58 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.559 0.695 . . . . 2.1800000000000002 111.415 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -87.32 162.23 17.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.88 -0.6 . . . . 0.78000000000000003 111.225 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.0 mptt -112.41 137.58 50.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.885 -0.783 . . . . 3.0499999999999998 108.885 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 57.4 mt -109.13 132.49 57.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.323 0.582 . . . . 0.85999999999999999 112.032 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -133.7 161.18 41.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.592 -1.262 . . . . 0.98999999999999999 107.592 177.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.03 130.8 18.03 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.531 -0.867 . . . . 0.5 113.2 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -94.86 -30.16 14.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.389 -0.967 . . . . 0.93999999999999995 108.389 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.24 129.54 41.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.779 -1.1 . . . . 1.3100000000000001 109.752 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -51.5 59.84 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.201 -0.454 . . . . 1.1200000000000001 112.194 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.44 ' O ' ' HG2' ' A' ' 81' ' ' MET . 76.0 t80 -61.38 -50.31 73.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.654 -0.248 . . . . 0.94999999999999996 111.244 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.7 96.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.09 0.404 . . . . 0.5 112.09 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -63.13 -43.53 98.13 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.833 -0.432 . . . . 1.27 109.833 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.11 -30.34 70.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.966 -0.561 . . . . 1.21 109.928 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 44.9 mmm -70.75 -49.47 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.51 111.258 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.1 -24.6 65.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.07 -0.514 . . . . 0.57999999999999996 111.328 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -84.32 -23.22 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 1.46 110.21 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -85.96 -43.75 12.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.932 -0.576 . . . . 2.3300000000000001 110.573 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.07 94.84 7.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.009 -0.541 . . . . 1.6000000000000001 110.451 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -16.83 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 2.6600000000000001 110.89 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -70.3 -7.6 43.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 1.46 111.298 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -113.22 14.71 19.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.824 0.345 . . . . 1.0 110.743 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.21 -17.84 64.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.909 0.337 . . . . 2.4199999999999999 111.909 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.519 -0.31 . . . . 2.4399999999999999 111.174 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.462 HG21 HG13 ' A' ' 61' ' ' VAL . 4.2 m -103.34 -32.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.095 -0.242 . . . . 0.87 110.998 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 47.4 t80 -86.52 137.49 32.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.336 . . . . 1.1399999999999999 110.156 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.336 -0.393 . . . . 1.4199999999999999 111.368 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.435 -0.209 . . . . 2.9100000000000001 110.435 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -73.58 94.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 1.0 109.644 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 12.0 mmmm -76.39 125.93 30.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.483 -0.78 . . . . 2.23 110.563 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -98.95 120.79 39.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.208 0.528 . . . . 2.52 110.259 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.25 -162.6 13.65 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.768 -0.651 . . . . 1.04 111.59 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.26 91.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.734 0.414 . . . . 3.1899999999999999 110.971 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 52.63 39.2 27.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.746 -0.661 . . . . 1.3799999999999999 111.198 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -155.32 156.68 35.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.93999999999999995 110.888 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -122.68 130.02 52.49 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.678 -0.86 . . . . 0.68999999999999995 108.678 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 14.8 p90 -143.28 151.16 40.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.196 0.522 . . . . 1.1599999999999999 111.035 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.98 120.64 50.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.652 -0.704 . . . . 0.92000000000000004 109.201 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.35 172.04 44.44 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.88 -0.676 . . . . 1.52 111.881 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.58 -28.25 62.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 2.6200000000000001 110.62 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -149.27 165.56 31.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.578 -0.527 . . . . 1.6000000000000001 109.578 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.41 -29.41 70.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.888 0.375 . . . . 2.7200000000000002 110.607 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -95.11 4.57 53.53 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.539 0.685 . . . . 2.9199999999999999 109.909 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -126.63 43.86 3.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.553 -0.749 . . . . 2.4500000000000002 110.092 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.26 114.03 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.969 -0.559 . . . . 1.1899999999999999 110.693 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -84.04 -11.27 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.351 0.596 . . . . 1.3899999999999999 109.486 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.71 128.02 2.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.116 -0.947 . . . . 0.77000000000000002 108.927 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.11 138.84 23.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.211 0.529 . . . . 1.3300000000000001 111.967 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -134.04 128.99 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.204 -0.907 . . . . 0.40999999999999998 109.285 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -117.87 137.74 52.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.59999999999999998 111.574 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -135.75 167.07 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.408 -0.59 . . . . 0.76000000000000001 109.408 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -161.2 154.97 22.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.818 0.342 . . . . 3.6299999999999999 111.109 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.12 114.74 21.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.902 -0.777 . . . . 0.82999999999999996 108.902 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.3 m -90.8 -29.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.24 0.459 . . . . 0.83999999999999997 112.24 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 10.8 t70 -131.93 -81.28 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.673 -0.411 . . . . 1.74 111.066 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -131.44 -70.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 2.7200000000000002 111.387 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -110.57 0.07 17.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.205 0.526 . . . . 1.8400000000000001 110.216 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 15.1 mp0 -84.49 116.48 23.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.686 -0.688 . . . . 2.25 110.999 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 pt -107.39 121.74 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.03 -0.532 . . . . 0.53000000000000003 109.659 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 9.6 t30 -103.66 125.62 50.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 1.8200000000000001 111.759 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.71 124.21 40.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.811 -0.811 . . . . 0.68999999999999995 108.811 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -100.84 -53.56 3.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.169 0.433 . . . . 2.4700000000000002 112.169 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -112.73 140.53 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.323 0.583 . . . . 2.1200000000000001 112.035 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -148.8 107.71 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.096 -0.956 . . . . 0.72999999999999998 108.524 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.33 152.65 22.51 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.208 -0.996 . . . . 0.69999999999999996 113.104 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.48 125.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.485 -0.561 . . . . 0.93000000000000005 109.485 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.32 -0.713 0 CA-C-O 121.208 0.528 . . . . 1.8300000000000001 110.763 -179.83 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.177 0 CA-C-O 120.462 -0.076 . . . . 1.1100000000000001 113.04 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.86 -32.92 53.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 1.1399999999999999 110.919 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.7 -27.93 67.21 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.857 -0.611 . . . . 0.58999999999999997 112.289 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -70.07 -32.09 70.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 2.02 110.204 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -73.33 -40.5 64.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.547 -0.538 . . . . 2.5699999999999998 109.547 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.95 -47.47 77.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.523 -0.762 . . . . 0.85999999999999999 109.965 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.12 -38.39 88.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.703 -0.681 . . . . 1.29 110.26 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -58.01 -42.94 86.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.239 -0.437 . . . . 1.3899999999999999 110.308 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.36 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.793 -0.64 . . . . 0.56000000000000005 110.323 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.35 -46.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.914 -0.402 . . . . 0.44 109.914 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.454 HG13 HG21 ' A' ' 91' ' ' VAL . 54.7 t -59.53 -44.68 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.754 -0.657 . . . . 0.53000000000000003 110.44 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -65.92 -45.62 81.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 1.76 111.025 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.524 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.8 t60 -65.75 -35.75 81.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.785 0.326 . . . . 1.04 111.043 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.72 93.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.84999999999999998 110.134 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 90' ' ' ASP . 27.8 tpt180 -62.18 -37.45 85.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.545 . . . . 3.1200000000000001 110.546 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 51.9 mt-10 -63.12 -36.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.8200000000000001 111.665 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.444 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 38.2 m-80 -103.85 5.52 35.9 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.429 0.529 . . . . 1.3999999999999999 112.429 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.16 37.27 20.87 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.747 0.784 . . . . 2.1800000000000002 110.542 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 69.4 mt -83.53 158.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.78000000000000003 110.821 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.6 mptt -104.3 125.15 50.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.827 -0.805 . . . . 3.0499999999999998 108.827 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 61' ' ' VAL . 53.8 mt -96.67 125.93 49.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.56 0.695 . . . . 0.85999999999999999 112.829 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -135.05 153.03 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.444 -1.317 . . . . 0.98999999999999999 107.444 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.61 141.14 37.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.993 -0.683 . . . . 0.5 112.669 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 m -92.83 -32.23 14.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.322 -0.854 . . . . 0.93999999999999995 108.923 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -67.18 129.49 40.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.265 -0.88 . . . . 1.3100000000000001 109.845 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -57.04 -35.18 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.437 -0.347 . . . . 1.1200000000000001 111.323 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -65.08 -62.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.911 -0.586 . . . . 0.94999999999999996 111.838 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -58.01 -42.35 85.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.5 111.796 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.86 -39.54 89.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 1.27 110.202 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.484 ' HA ' ' HG2' ' A' ' 83' ' ' GLU . 69.3 t60 -69.79 -29.99 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.21 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.57 -35.65 73.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.956 0.408 . . . . 1.51 110.606 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 45.5 mt -72.11 -45.38 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 0.57999999999999996 111.0 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 26.1 pt-20 -73.22 -19.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 1.46 111.503 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 5.6 ttpp -75.63 -11.4 60.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.522 . . . . 2.3300000000000001 110.448 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.65 106.66 11.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.997 -0.547 . . . . 1.6000000000000001 110.39 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.82 -27.14 68.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.518 0.675 . . . . 2.6600000000000001 110.235 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -79.13 -0.28 31.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.438 -0.801 . . . . 1.46 111.991 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -92.9 4.73 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.947 0.403 . . . . 1.0 110.56 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -70.74 0.92 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 2.4199999999999999 111.813 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.412 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 16.8 p-10 -82.97 -22.66 33.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.193 0.52 . . . . 2.4399999999999999 109.672 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 HG13 ' A' ' 61' ' ' VAL . 4.9 m -124.64 -31.66 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.529 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -88.39 137.57 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 1.1399999999999999 109.832 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 1.4199999999999999 111.211 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 15' ' ' ILE . 12.2 mm-40 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 110.353 -0.239 . . . . 2.9100000000000001 110.353 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -79.53 97.01 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.855 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 18.9 mmmt -90.99 117.52 29.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 2.23 110.369 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.19 129.05 39.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 2.52 110.046 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.58 -153.14 10.58 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.485 -0.78 . . . . 1.04 111.19 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 89.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.694 0.247 . . . . 3.1899999999999999 110.349 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.552 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.2 m-80 52.6 44.54 29.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.779 -0.646 . . . . 1.3799999999999999 110.14 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -154.63 168.81 25.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.821 -0.627 . . . . 0.93999999999999995 111.376 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.1 119.45 20.99 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.751 -0.833 . . . . 0.68999999999999995 108.751 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 25.6 p90 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.891 0.377 . . . . 1.1599999999999999 110.886 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 5' ' ' GLU . 61.6 mt -136.05 131.9 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.804 -0.635 . . . . 0.92000000000000004 109.736 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.81 -157.0 28.84 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.708 -0.758 . . . . 1.52 112.314 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.84 -35.45 19.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.099 0.476 . . . . 2.6200000000000001 110.39 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.15 169.45 21.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.477 -0.783 . . . . 1.6000000000000001 109.517 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.56 -40.07 71.45 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.241 0.543 . . . . 2.7200000000000002 110.057 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -87.52 -27.09 22.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.433 0.635 . . . . 2.9199999999999999 109.739 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.59 44.24 1.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.762 0.791 . . . . 2.4500000000000002 109.234 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.62 128.17 34.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.98 -1.009 . . . . 1.1899999999999999 110.286 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.82 -11.76 55.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.143 0.497 . . . . 1.3899999999999999 110.097 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.68 134.33 4.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.664 -0.698 . . . . 0.77000000000000002 109.61 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 126.44 12.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 1.3300000000000001 110.828 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -122.12 120.44 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.475 -0.784 . . . . 0.40999999999999998 109.324 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.22 145.49 38.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.005 -0.543 . . . . 0.59999999999999998 111.365 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -143.54 170.15 16.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.791 -0.64 . . . . 0.76000000000000001 109.978 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.552 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -152.54 154.55 35.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 3.6299999999999999 110.301 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.85 103.26 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.302 -0.629 . . . . 0.82999999999999996 109.302 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.6 m -71.66 -40.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.83999999999999997 112.252 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.443 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 13.9 t70 -125.71 -81.63 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.739 -0.385 . . . . 1.74 111.307 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -134.71 -60.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.117 0.414 . . . . 2.7200000000000002 112.117 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -111.79 -3.87 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.101 0.477 . . . . 1.8400000000000001 110.744 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 10.8 mp0 -85.08 117.51 24.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.971 -0.559 . . . . 2.25 111.678 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.53 119.36 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.53000000000000003 109.314 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 12.1 t30 -102.68 119.84 39.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.241 -0.436 . . . . 1.8200000000000001 111.751 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.68 110.13 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.448 -0.945 . . . . 0.68999999999999995 108.448 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.13 -30.74 13.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.267 0.469 . . . . 2.4700000000000002 112.267 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.554 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 65.5 t60 -131.69 126.15 33.87 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.277 -0.569 . . . . 2.1200000000000001 112.276 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -133.04 89.31 2.6 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.338 -0.986 . . . . 0.72999999999999998 108.338 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.78 132.98 11.05 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.2 -1.0 . . . . 0.69999999999999996 113.199 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.67 132.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.678 -0.86 . . . . 0.93000000000000005 108.678 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.317 -0.808 0 CA-C-O 121.086 0.47 . . . . 1.8300000000000001 110.927 -179.507 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 110.984 -0.847 . . . . 1.1100000000000001 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.31 -30.3 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.419 -0.391 . . . . 1.1399999999999999 111.209 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.33 -34.28 73.94 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.005 -0.617 . . . . 0.58999999999999997 112.287 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -68.29 -41.45 80.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.207 0.527 . . . . 2.02 109.759 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -68.18 -40.09 82.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 2.5699999999999998 110.244 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 60' ' ' VAL . 30.5 mt -63.25 -46.71 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.76 -0.654 . . . . 0.85999999999999999 110.768 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 61' ' ' VAL . 16.9 tp -63.77 -35.18 79.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.29 110.297 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.52 -43.11 97.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.413 -0.358 . . . . 1.3899999999999999 110.123 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.07 79.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.56000000000000005 110.177 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 56' ' ' LEU . 81.7 t -66.79 -45.3 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.284 -0.635 . . . . 0.44 109.284 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' HA ' HD11 ' A' ' 71' ' ' ILE . 70.6 t -59.68 -46.08 93.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.685 -0.689 . . . . 0.53000000000000003 110.105 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 47.9 mt-10 -60.08 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.537 -0.756 . . . . 1.76 110.469 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.516 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.7 t60 -63.04 -36.74 84.57 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.898 -0.592 . . . . 1.04 110.756 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.18 92.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.527 . . . . 0.84999999999999998 110.085 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.14 -32.45 73.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 3.1200000000000001 110.817 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 65.4 mt-10 -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.078 -0.51 . . . . 1.8200000000000001 111.412 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.44 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 41.0 m-80 -108.87 9.4 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.333 -0.394 . . . . 1.3999999999999999 111.803 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.45 38.11 29.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.581 0.705 . . . . 2.1800000000000002 110.713 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.7 mt -81.4 159.3 24.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.681 -0.69 . . . . 0.78000000000000003 110.93 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.1 mptt -106.24 127.9 53.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.869 -0.789 . . . . 3.0499999999999998 108.869 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 61' ' ' VAL . 51.5 mt -96.33 132.76 39.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 112.851 0.686 . . . . 0.85999999999999999 112.851 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.0 pt -143.87 157.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.204 -1.406 . . . . 0.98999999999999999 107.204 177.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.73 134.01 14.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.718 -0.793 . . . . 0.5 112.607 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -25.15 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.917 -0.771 . . . . 0.93999999999999995 108.917 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.76 121.39 18.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.276 -0.875 . . . . 1.3100000000000001 109.26 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -55.24 -38.95 69.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.296 0.48 . . . . 1.1200000000000001 112.296 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.37 -55.85 24.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.94999999999999996 111.07 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.48 97.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.261 -0.427 . . . . 0.5 111.257 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 13.1 tmtt? -60.27 -47.05 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 1.27 110.642 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -67.94 -29.78 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.303 -0.408 . . . . 1.21 111.632 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tpp -63.39 -38.08 89.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.389 -0.597 . . . . 1.51 109.389 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 92' ' ' TYR . 11.4 mt -72.78 -33.32 66.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.515 -0.766 . . . . 0.57999999999999996 110.328 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.4 mt-10 -69.99 -29.2 66.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.507 0.67 . . . . 1.46 109.918 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.85 -24.01 55.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.084 -0.962 . . . . 2.3300000000000001 111.149 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -111.85 97.4 6.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.223 0.535 . . . . 1.6000000000000001 111.167 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.33 -29.2 70.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.455 -0.793 . . . . 2.6600000000000001 110.725 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -11.89 61.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 1.46 111.68 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -95.26 2.27 54.79 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.641 0.258 . . . . 1.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.32 3.71 10.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.776 0.322 . . . . 2.4199999999999999 111.524 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -77.96 -25.62 48.3 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.625 -0.509 . . . . 2.4399999999999999 109.625 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG21 HG13 ' A' ' 61' ' ' VAL . 2.6 m -118.56 -29.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.571 -0.741 . . . . 0.87 110.134 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.527 ' CD1' HD13 ' A' ' 82' ' ' LEU . 55.2 t80 -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.638 -0.504 . . . . 1.1399999999999999 109.638 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 121.043 0.449 . . . . 1.4199999999999999 110.738 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.694 -0.484 . . . . 2.9100000000000001 109.694 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 59' ' ' ALA . 7.4 mt -75.2 96.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.182 0.515 . . . . 1.0 110.156 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -80.72 124.26 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.617 -0.719 . . . . 2.23 110.129 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.17 143.2 39.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.232 0.539 . . . . 2.52 110.753 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.39 -168.46 12.17 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.631 -0.713 . . . . 1.04 111.337 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 10' ' ' GLU . 4.7 pt-20 -65.8 94.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.841 0.353 . . . . 3.1899999999999999 111.087 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.41 33.49 22.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.53 -0.759 . . . . 1.3799999999999999 110.6 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 38.6 pttt -159.72 -179.41 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.93999999999999995 111.44 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -135.89 141.28 44.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.427 -0.953 . . . . 0.68999999999999995 108.427 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -152.02 163.04 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.274 0.559 . . . . 1.1599999999999999 111.679 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.3 mt -131.53 126.76 58.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.447 -0.797 . . . . 0.92000000000000004 109.577 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.29 174.37 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.582 -0.818 . . . . 1.52 112.543 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.67 -58.38 7.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 2.6200000000000001 110.8 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -135.19 164.15 28.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.106 -0.702 . . . . 1.6000000000000001 109.106 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.16 -33.96 76.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.599 0.222 . . . . 2.7200000000000002 111.599 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -68.72 -41.42 79.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.25 0.548 . . . . 2.9199999999999999 109.768 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.74 35.94 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 2.4500000000000002 110.053 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.25 132.43 49.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 1.1899999999999999 111.159 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.06 -41.58 64.0 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.964 -0.754 . . . . 1.3899999999999999 108.964 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.84 148.01 20.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.174 -0.921 . . . . 0.77000000000000002 110.416 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -150.57 149.36 29.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.02 0.438 . . . . 1.3300000000000001 110.686 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 15.1 tt -135.82 127.01 44.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.075 -0.713 . . . . 0.40999999999999998 109.075 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.9 p -108.98 142.73 39.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.722 0.296 . . . . 0.59999999999999998 111.462 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.4 p90 -135.12 150.98 50.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.887 -0.412 . . . . 0.76000000000000001 109.887 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -139.79 156.2 46.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.915 0.388 . . . . 3.6299999999999999 110.577 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -88.73 106.27 18.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.115 -0.493 . . . . 0.82999999999999996 110.156 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -81.65 -24.97 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.83999999999999997 110.644 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -136.6 -97.09 0.22 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 1.74 109.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -149.34 -49.74 0.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.39 -0.596 . . . . 2.7200000000000002 109.39 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 69' ' ' LEU . 2.8 t30 -107.24 17.01 23.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 1.8400000000000001 109.545 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -131.5 126.13 34.17 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.468 -0.787 . . . . 2.25 110.167 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -122.08 139.21 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.53000000000000003 110.473 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 p-10 -111.94 142.37 44.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.208 -0.451 . . . . 1.8200000000000001 111.272 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.55 105.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.755 -1.202 . . . . 0.68999999999999995 107.755 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -60.06 -69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 2.4700000000000002 111.614 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 10.4 p-80 -137.16 147.79 46.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.027 0.441 . . . . 2.1200000000000001 111.165 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -118.93 129.86 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.545 -0.752 . . . . 0.72999999999999998 109.914 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -140.32 104.09 0.39 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.448 -0.882 . . . . 0.69999999999999996 111.821 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -117.7 159.46 17.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 110.275 -0.268 . . . . 0.93000000000000005 110.275 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.8300000000000001 110.977 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.63 0 N-CA-C 112.189 -0.364 . . . . 1.1100000000000001 112.189 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.39 -49.85 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.919 0.39 . . . . 1.1399999999999999 111.438 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.34 99.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.58999999999999997 112.755 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -68.71 -28.37 66.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 2.02 110.077 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.79 -39.75 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 2.5699999999999998 110.262 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.889 -0.596 . . . . 0.85999999999999999 110.185 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.52 -37.7 84.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 1.29 109.813 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.64 -41.5 97.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.33 -0.85 . . . . 1.3899999999999999 110.751 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.647 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -59.68 -45.96 90.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.56000000000000005 111.345 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.7 t -61.75 -47.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.44 110.672 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 58.6 t -66.7 -34.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 0.53000000000000003 111.064 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -57.2 -53.48 57.64 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.946 0.403 . . . . 1.76 110.119 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.512 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 27.3 t60 -65.23 -28.95 69.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.981 -0.554 . . . . 1.04 109.994 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.58 -28.15 66.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.681 -0.691 . . . . 0.84999999999999998 110.605 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 30.8 mmt180 -76.39 -32.54 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 3.1200000000000001 110.109 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.512 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 41.5 mt-10 -66.99 -51.47 54.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.645 -0.707 . . . . 1.8200000000000001 111.375 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 4.5 m120 -92.47 -10.7 36.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.509 . . . . 1.3999999999999999 112.18 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 60.67 63.62 1.3 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.187 0.518 . . . . 2.1800000000000002 109.869 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 mt -105.02 165.72 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.78000000000000003 111.282 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -90.09 133.68 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.205 -0.665 . . . . 3.0499999999999998 109.205 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.464 HD11 ' HB2' ' A' ' 64' ' ' ALA . 48.3 mm -109.6 122.16 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.966 0.413 . . . . 0.85999999999999999 111.753 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -132.53 146.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.379 -0.971 . . . . 0.98999999999999999 108.379 177.379 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.64 54.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.952 0.406 . . . . 0.5 111.87 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -84.88 -35.69 22.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.844 -0.616 . . . . 0.93999999999999995 109.58 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -74.64 130.86 40.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.451 -0.795 . . . . 1.3100000000000001 110.062 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.8 m -60.29 -35.82 76.44 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.777 0.288 . . . . 1.1200000000000001 111.777 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.469 ' O ' ' HG3' ' A' ' 81' ' ' MET . 12.0 t80 -63.22 -57.25 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.627 -0.261 . . . . 0.94999999999999996 110.586 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.53 79.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.425 . . . . 0.5 110.861 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.82 -0.627 . . . . 1.27 110.134 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 81.4 t60 -74.61 -26.75 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 1.21 111.163 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 91.7 mtp -63.22 -47.34 82.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 1.51 110.129 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.25 -30.8 63.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.346 0.593 . . . . 0.57999999999999996 109.969 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 36.2 tt0 -68.39 -22.73 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.141 -0.936 . . . . 1.46 110.898 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.36 -15.48 56.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 2.3300000000000001 111.764 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -120.08 119.25 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.076 -0.39 . . . . 1.6000000000000001 111.659 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 2.6600000000000001 110.289 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 m -62.54 -36.15 81.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.643 -0.708 . . . . 1.46 110.933 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.422 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 6.2 m-30 -72.8 -23.17 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.12 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -66.1 -7.8 19.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.364 -0.38 . . . . 2.4199999999999999 111.97 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -63.66 -43.57 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.992 -0.744 . . . . 2.4399999999999999 108.992 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 m -104.98 -37.03 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.126 -0.943 . . . . 0.87 110.459 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 2.8 t80 -75.84 135.58 40.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 1.1399999999999999 109.742 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.386 0.612 . . . . 1.4199999999999999 111.156 -178.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.912 -0.403 . . . . 2.9100000000000001 109.912 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -75.04 95.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.194 0.521 . . . . 1.0 110.257 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.04 130.52 34.44 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.726 -0.67 . . . . 2.23 110.226 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -108.84 144.79 36.25 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.16 0.505 . . . . 2.52 110.201 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.81 -155.04 8.29 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.21 -0.756 . . . . 1.04 111.21 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.33 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.323 -0.251 . . . . 3.1899999999999999 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 42.7 m-80 53.44 42.46 31.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.621 -0.718 . . . . 1.3799999999999999 109.888 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -150.15 164.13 36.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.93999999999999995 111.312 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 56' ' ' LEU . 42.7 m-85 -131.51 137.15 48.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.97 -1.122 . . . . 0.68999999999999995 107.97 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -156.41 156.44 33.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.283 0.563 . . . . 1.1599999999999999 111.86 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.634 HG13 HD21 ' A' ' 56' ' ' LEU . 73.8 mt -136.27 124.95 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.183 -0.917 . . . . 0.92000000000000004 108.902 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.8 173.85 46.37 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.366 -0.921 . . . . 1.52 112.468 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.58 -33.66 74.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 2.6200000000000001 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -149.37 170.49 18.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.614 -0.721 . . . . 1.6000000000000001 109.195 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.36 -40.97 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 2.7200000000000002 110.237 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -85.0 -19.79 31.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 2.9199999999999999 110.239 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.42 41.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.763 -0.653 . . . . 2.4500000000000002 109.926 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.24 111.52 8.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.743 -0.662 . . . . 1.1899999999999999 110.548 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.57 -32.67 64.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.442 0.639 . . . . 1.3899999999999999 109.317 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -144.59 129.75 18.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.06 -0.973 . . . . 0.77000000000000002 109.195 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.79 131.08 19.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.968 0.414 . . . . 1.3300000000000001 111.023 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -128.11 119.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.648 -0.705 . . . . 0.40999999999999998 109.286 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.476 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.62 144.98 40.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.59999999999999998 111.304 -179.285 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HB3' HG12 ' A' ' 38' ' ' ILE . 46.0 p90 -143.72 175.83 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.778 -0.647 . . . . 0.76000000000000001 109.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -160.61 151.7 18.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.76 0.314 . . . . 3.6299999999999999 110.94 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -82.89 104.38 13.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.63 -0.878 . . . . 0.82999999999999996 108.63 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.57 -16.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.565 0.58 . . . . 0.83999999999999997 112.565 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -139.47 -90.63 0.19 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.826 -0.35 . . . . 1.74 110.842 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -128.74 -60.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.276 -0.265 . . . . 2.7200000000000002 111.191 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -115.95 -3.61 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 1.8400000000000001 110.543 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -84.55 120.61 26.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.633 -0.712 . . . . 2.25 111.16 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 pt -109.49 117.86 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.53000000000000003 109.856 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 22.6 t30 -94.13 122.87 37.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 1.8200000000000001 111.587 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 ' HB3' ' A' ' 28' ' ' TYR . 52.7 mt -100.75 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.676 -0.861 . . . . 0.68999999999999995 108.676 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.474 ' C ' ' HB2' ' A' ' 75' ' ' CYS . 14.6 t70 -114.63 -18.98 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.132 0.419 . . . . 2.4700000000000002 112.132 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.476 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 38.8 t60 -121.65 127.47 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.51 . . . . 2.1200000000000001 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.03 109.88 4.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.577 -0.738 . . . . 0.72999999999999998 109.857 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -115.42 133.39 10.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.8 -0.714 . . . . 0.69999999999999996 111.865 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 123.84 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.337 -0.246 . . . . 0.93000000000000005 110.337 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 109.649 -0.5 . . . . 1.8300000000000001 109.649 179.123 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.289 -0.324 . . . . 1.1100000000000001 112.289 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.02 -43.84 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 1.1399999999999999 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.69 88.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.85 -0.691 . . . . 0.58999999999999997 111.74 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -71.32 -34.22 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 2.02 110.368 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -61.06 -42.41 98.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.841 -0.618 . . . . 2.5699999999999998 110.237 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 15' ' ' ILE . 63.5 mt -69.11 -44.11 73.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.566 . . . . 0.85999999999999999 110.65 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 61' ' ' VAL . 30.9 tp -61.02 -42.14 97.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 1.29 110.125 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.89 -41.45 96.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 1.3899999999999999 110.216 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.89 97.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.56000000000000005 110.605 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.47 -47.78 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.44 109.999 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.8 t -61.66 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.589 . . . . 0.53000000000000003 110.742 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.3 mt-10 -62.56 -45.79 91.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.099 -0.5 . . . . 1.76 110.841 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.456 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.1 t60 -65.33 -33.59 76.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 1.04 110.372 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.72 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.84999999999999998 109.663 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -62.68 -34.51 77.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 3.1200000000000001 110.173 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 57.9 mt-10 -63.97 -34.7 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 1.8200000000000001 112.0 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -114.52 11.38 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.771 0.656 . . . . 1.3999999999999999 112.771 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 t30 58.72 43.99 17.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.409 0.623 . . . . 2.1800000000000002 111.028 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -89.26 158.54 17.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.78000000000000003 110.347 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.3 mptt -111.25 125.79 54.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.661 . . . . 3.0499999999999998 109.217 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 61' ' ' VAL . 57.7 mt -97.9 129.13 48.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.285 0.564 . . . . 0.85999999999999999 112.439 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -127.83 122.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.966 -1.124 . . . . 0.98999999999999999 107.966 177.191 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.52 109.38 19.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.226 0.454 . . . . 0.5 112.226 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -91.49 -20.3 21.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.848 -0.797 . . . . 0.93999999999999995 108.848 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.474 ' HB2' ' C ' ' A' ' 39' ' ' ASP . 5.6 t -62.29 132.67 53.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.147 -0.933 . . . . 1.3100000000000001 110.096 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -35.68 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.38 0.425 . . . . 1.1200000000000001 111.995 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -80.64 -54.99 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.279 . . . . 0.94999999999999996 111.132 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 75' ' ' CYS . . . -57.11 -38.11 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.5 111.847 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.18 -52.38 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 1.27 110.315 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.69 -32.2 73.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.294 -0.412 . . . . 1.21 110.989 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 64.3 mmm -62.23 -57.44 11.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 1.51 111.011 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 92' ' ' TYR . 4.8 mt -71.46 -16.82 62.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.952 -0.567 . . . . 0.57999999999999996 110.811 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.49 -36.18 65.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.719 . . . . 1.46 109.23 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -82.19 -44.59 16.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.235 -0.893 . . . . 2.3300000000000001 109.572 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 90.0 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.725 -0.67 . . . . 1.6000000000000001 111.237 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.86 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.461 -0.791 . . . . 2.6600000000000001 110.825 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -22.43 66.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.818 -0.628 . . . . 1.46 111.825 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -92.25 -5.44 52.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.666 0.269 . . . . 1.0 111.197 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -80.08 17.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.102 0.477 . . . . 2.4199999999999999 111.613 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.72 -32.04 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.696 -0.853 . . . . 2.4399999999999999 108.696 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.96 -20.09 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.54 -0.754 . . . . 0.87 109.849 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' HD13 ' A' ' 82' ' ' LEU . 41.8 t80 -87.94 135.76 33.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 1.1399999999999999 109.617 178.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.253 0.549 . . . . 1.4199999999999999 110.918 -179.886 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.767 0.317 . . . . 2.9100000000000001 110.79 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 59' ' ' ALA . 36.5 mt -72.79 101.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.707 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -86.73 119.99 27.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.939 -0.393 . . . . 2.23 109.939 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.8 150.42 47.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 2.52 110.925 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.97 17.7 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.324 -0.853 . . . . 1.04 111.112 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -67.47 96.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.9 0.381 . . . . 3.1899999999999999 110.761 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 32.34 20.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 1.3799999999999999 111.0 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 27' ' ' THR . 45.9 pttt -161.96 173.74 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.363 0.602 . . . . 0.93999999999999995 111.946 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -133.04 130.49 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.98 -1.009 . . . . 0.68999999999999995 108.34 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -137.18 159.85 40.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.393 0.616 . . . . 1.1599999999999999 111.76 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -130.98 120.93 48.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.358 -0.837 . . . . 0.92000000000000004 109.713 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.57 176.9 28.26 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.664 -0.575 . . . . 1.52 111.664 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.07 -57.85 6.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.894 0.378 . . . . 2.6200000000000001 110.632 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -135.57 166.31 23.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.754 -0.657 . . . . 1.6000000000000001 109.66 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.67 -23.95 65.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 2.7200000000000002 110.49 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.52 -22.23 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.347 0.594 . . . . 2.9199999999999999 109.907 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -137.11 63.39 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.682 -0.69 . . . . 2.4500000000000002 109.793 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 144.98 25.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 1.1899999999999999 110.418 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.9 mt -87.48 -22.96 24.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 1.3899999999999999 110.135 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -169.71 145.7 3.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.775 -0.648 . . . . 0.77000000000000002 111.085 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.13 137.32 12.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.18 0.514 . . . . 1.3300000000000001 110.635 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 tt -122.85 132.33 71.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.645 -0.707 . . . . 0.40999999999999998 109.479 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 12' ' ' LYS . 20.6 p -113.58 141.76 46.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.727 0.299 . . . . 0.59999999999999998 110.988 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -133.42 149.44 51.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.55 -0.537 . . . . 0.76000000000000001 109.55 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -136.48 159.67 41.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.927 0.394 . . . . 3.6299999999999999 110.749 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -97.31 109.2 22.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.005 -0.543 . . . . 0.82999999999999996 110.322 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.87 -32.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.945 0.402 . . . . 0.83999999999999997 111.176 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -135.69 -84.04 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 1.74 110.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -152.51 -57.64 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.137 0.494 . . . . 2.7200000000000002 110.521 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.97 17.26 23.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 1.8400000000000001 110.361 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -127.77 126.39 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.514 . . . . 2.25 109.807 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.3 pt -120.56 135.09 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.186 0.517 . . . . 0.53000000000000003 110.462 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 p-10 -113.34 140.79 47.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 1.8200000000000001 110.598 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -83.64 113.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 0.68999999999999995 109.534 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.37 -56.73 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 2.4700000000000002 110.398 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.669 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 8.1 p-80 -156.59 160.31 39.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 2.1200000000000001 111.496 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -134.33 96.82 3.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.426 -0.806 . . . . 0.72999999999999998 109.458 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -103.25 116.17 5.37 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.624 -0.798 . . . . 0.69999999999999996 112.707 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.9 t -126.87 136.85 59.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.151 -0.314 . . . . 0.93000000000000005 110.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.679 0.752 . . . . 1.8300000000000001 109.668 178.6 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.219 0 N-CA-C 112.672 -0.171 . . . . 1.1100000000000001 112.672 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.81 -25.63 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.888 0.329 . . . . 1.1399999999999999 111.888 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.11 96.57 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.895 -0.669 . . . . 0.58999999999999997 111.782 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -75.74 -36.89 59.78 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.93 0.395 . . . . 2.02 110.05 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.91 -44.8 95.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.697 -0.683 . . . . 2.5699999999999998 111.174 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 56' ' ' LEU . 19.6 mt -67.09 -44.25 80.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.85999999999999999 111.405 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD22 ' SD ' ' A' ' 81' ' ' MET . 34.8 tp -62.61 -37.48 86.42 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.693 -0.484 . . . . 1.29 109.693 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.63 -36.31 83.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.784 -0.644 . . . . 1.3899999999999999 110.669 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -59.77 -43.15 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.54 . . . . 0.56000000000000005 110.311 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.89 -47.87 66.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.621 -0.718 . . . . 0.44 110.528 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.24 -42.82 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.53000000000000003 111.473 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.0 tt0 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.76 110.11 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.409 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.3 t60 -63.41 -33.14 74.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.06 -0.518 . . . . 1.04 109.679 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.42 -35.93 78.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.594 -0.73 . . . . 0.84999999999999998 110.097 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -66.56 -41.14 89.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.585 -0.524 . . . . 3.1200000000000001 109.585 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 35.2 mt-10 -60.93 -55.77 29.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.924 -0.58 . . . . 1.8200000000000001 111.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -83.02 -1.67 53.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 1.3999999999999999 112.443 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 59.44 39.75 21.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.048 0.451 . . . . 2.1800000000000002 110.638 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.53 159.99 21.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.152 -0.476 . . . . 0.78000000000000003 111.047 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -91.98 138.86 31.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.009 -0.738 . . . . 3.0499999999999998 109.009 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 64' ' ' ALA . 30.5 mm -107.61 130.14 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.548 . . . . 0.85999999999999999 112.358 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -143.31 158.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.034 -1.098 . . . . 0.98999999999999999 108.034 177.381 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.34 35.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.958 -0.464 . . . . 0.5 111.936 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 m -85.55 -40.26 16.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.93999999999999995 110.16 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.669 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 85.0 m -74.35 129.83 38.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.524 . . . . 1.3100000000000001 110.972 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -32.86 69.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.062 -0.517 . . . . 1.1200000000000001 111.224 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.83 -59.67 5.01 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.726 0.298 . . . . 0.94999999999999996 110.447 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.89 85.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.5 110.759 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.5 tttm -61.74 -50.17 73.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 1.27 110.107 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -63.19 -31.57 72.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 1.21 110.04 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.405 ' SD ' HD22 ' A' ' 57' ' ' LEU . 25.9 ttt -66.36 -41.81 88.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.51 110.071 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.61 -31.38 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.742 -0.663 . . . . 0.57999999999999996 110.417 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 41.8 mt-10 -78.71 -31.74 46.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 1.46 110.812 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -73.64 -48.04 35.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 2.3300000000000001 110.087 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.52 92.32 8.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.174 -0.676 . . . . 1.6000000000000001 109.174 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.56 -9.64 4.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.579 -0.737 . . . . 2.6600000000000001 112.09 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.89 -22.27 66.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.792 0.33 . . . . 1.46 110.973 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -99.85 0.59 41.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.683 0.278 . . . . 1.0 110.715 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.21 -15.92 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 2.4199999999999999 111.882 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -67.77 -37.45 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 2.4399999999999999 110.579 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.11 -26.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.87 111.269 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -76.01 147.06 39.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.678 -0.49 . . . . 1.1399999999999999 109.678 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 1.4199999999999999 110.793 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 121.055 0.455 . . . . 2.9100000000000001 111.63 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.1 mt -80.39 99.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 1.0 109.804 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -89.19 138.66 31.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 2.23 109.627 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -112.49 135.5 53.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.039 0.447 . . . . 2.52 110.267 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.4 151.42 12.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.843 -0.617 . . . . 1.04 111.729 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 41.99 43.46 2.69 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.047 0.939 . . . . 3.1899999999999999 112.75 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 54.3 m-80 58.55 47.28 13.58 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.303 0.573 . . . . 1.3799999999999999 110.486 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.561 ' HB2' HG22 ' A' ' 27' ' ' THR . 19.2 ttpt -154.1 132.76 12.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.609 -0.723 . . . . 0.93999999999999995 111.302 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -103.33 118.71 37.38 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.68999999999999995 107.512 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -134.26 146.05 49.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.308 0.575 . . . . 1.1599999999999999 112.26 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.41 HD12 HG12 ' A' ' 52' ' ' VAL . 17.7 mt -110.63 119.64 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.115 -0.948 . . . . 0.92000000000000004 109.423 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.49 165.79 26.47 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.675 -0.774 . . . . 1.52 112.093 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -75.65 -32.27 60.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 2.6200000000000001 110.548 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 1.2 t70 -136.89 151.65 49.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.6000000000000001 110.266 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.7 -48.47 66.58 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.536 0.569 . . . . 2.7200000000000002 112.536 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.01 -26.08 60.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.288 0.566 . . . . 2.9199999999999999 110.559 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 22.9 m-80 -94.73 29.98 2.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.624 -0.716 . . . . 2.4500000000000002 110.78 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.1 115.82 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.001 -0.545 . . . . 1.1899999999999999 110.163 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.079 -0.51 . . . . 1.3899999999999999 109.945 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -152.03 136.14 16.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.902 -0.59 . . . . 0.77000000000000002 110.185 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -147.47 145.61 29.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.194 0.521 . . . . 1.3300000000000001 111.275 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -130.05 131.4 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.46 -0.941 . . . . 0.40999999999999998 108.46 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.561 HG22 ' HB2' ' A' ' 12' ' ' LYS . 14.0 p -112.71 140.92 47.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.794 0.33 . . . . 0.59999999999999998 111.695 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 39.6 p90 -145.18 147.39 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 0.76000000000000001 109.719 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 29' ' ' ARG . 48.3 mtm180 -129.12 144.28 51.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.716 0.293 . . . . 3.6299999999999999 111.042 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.837 -0.62 . . . . 0.82999999999999996 109.419 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -79.32 -31.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.916 -0.584 . . . . 0.83999999999999997 111.915 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -148.11 47.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 1.74 111.283 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t30 60.7 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.228 0.611 . . . . 2.7200000000000002 112.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 5.5 m120 -82.22 28.59 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.122 0.487 . . . . 1.8400000000000001 111.253 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -151.87 120.24 6.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.646 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 pt -116.33 134.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.24 0.543 . . . . 0.53000000000000003 111.005 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.3 t30 -103.95 120.39 40.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.618 -0.719 . . . . 1.8200000000000001 110.53 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.3 mt -81.01 119.63 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.293 -0.632 . . . . 0.68999999999999995 109.293 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.55 -63.8 1.26 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.581 -0.736 . . . . 2.4700000000000002 111.867 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -144.66 165.85 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 2.1200000000000001 112.176 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -137.98 107.09 6.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.977 -1.01 . . . . 0.72999999999999998 109.077 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.62 123.34 6.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.69999999999999996 112.236 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.59 133.69 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.655 0.264 . . . . 0.93000000000000005 110.491 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 1.8300000000000001 110.241 179.254 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 CA-C-O 120.446 -0.086 . . . . 1.1100000000000001 113.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 52' ' ' VAL . 1.4 t -69.88 -38.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 1.1399999999999999 110.043 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.89 -28.82 73.28 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.58999999999999997 112.097 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -66.55 -37.49 85.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.028 -0.36 . . . . 2.02 110.028 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.42 -40.66 81.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.119 0.485 . . . . 2.5699999999999998 110.193 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.07 -49.99 72.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 0.85999999999999999 110.662 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 tp -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 1.29 110.329 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -47.67 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.3899999999999999 109.876 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.0 96.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.56000000000000005 110.575 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.41 -52.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.951 -0.568 . . . . 0.44 110.843 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.497 HG11 ' CD1' ' A' ' 88' ' ' TYR . 69.2 t -61.36 -45.19 99.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.204 -0.453 . . . . 0.53000000000000003 110.746 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 30.0 tt0 -58.46 -52.57 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.818 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.35 -40.72 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 1.04 110.8 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.34 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.84999999999999998 110.803 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -61.03 -36.83 80.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.336 -0.393 . . . . 3.1200000000000001 111.171 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.7 mt-10 -65.53 -29.11 69.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 1.8200000000000001 111.513 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -107.46 13.1 27.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 1.3999999999999999 111.619 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.8 t30 55.48 38.17 29.88 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.381 0.61 . . . . 2.1800000000000002 111.238 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 34' ' ' ASN . 31.6 mt -92.0 143.57 26.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.015 -0.539 . . . . 0.78000000000000003 109.911 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.782 ' HB3' HD22 ' A' ' 93' ' ' LEU . 26.4 mtmt -94.18 146.59 23.89 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.19 -0.67 . . . . 3.0499999999999998 109.19 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -116.24 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 112.85 0.685 . . . . 0.85999999999999999 112.85 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.511 HG23 HD21 ' A' ' 93' ' ' LEU . 1.2 pt -126.63 104.81 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.959 -1.019 . . . . 0.98999999999999999 109.035 177.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.23 39.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.811 0.339 . . . . 0.5 111.594 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 m -87.26 -21.07 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.215 0.531 . . . . 0.93999999999999995 110.13 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 127.5 32.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 1.3100000000000001 109.682 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.71 -38.28 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 1.1200000000000001 111.815 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.14 -55.78 16.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.94999999999999996 111.158 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.5 111.311 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -62.47 -41.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.27 110.225 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.64 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 1.21 110.542 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 84.1 mtp -68.99 -37.99 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 1.51 110.298 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.759 -0.655 . . . . 0.57999999999999996 111.621 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -76.63 -26.34 54.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.46 -0.336 . . . . 1.46 111.239 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -69.17 -34.29 74.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 2.3300000000000001 111.247 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -96.45 119.33 34.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.052 0.454 . . . . 1.6000000000000001 111.004 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.76 -37.87 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.565 -0.743 . . . . 2.6600000000000001 111.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -69.7 -25.53 63.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.142 -0.481 . . . . 1.46 111.75 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.497 ' CD1' HG11 ' A' ' 61' ' ' VAL . 11.9 m-30 -84.92 -18.11 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.42 . . . . 1.0 110.498 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.31 -10.14 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 2.4199999999999999 111.332 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.63 -41.23 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 2.4399999999999999 110.504 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.47 -25.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.87 110.936 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -76.16 130.32 38.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.1399999999999999 110.359 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 70' ' ' LYS . 1.8 pt? . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.102 -0.499 . . . . 1.4199999999999999 110.355 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.751 0.31 . . . . 6.9500000000000002 110.266 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -69.99 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.276 -0.42 . . . . 6.4699999999999998 110.434 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.91 150.14 16.86 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.51 -0.552 . . . . 3.3500000000000001 109.51 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mp -84.93 59.99 5.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.266 0.555 . . . . 2.4900000000000002 110.43 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -94.1 142.87 26.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.564 -0.744 . . . . 2.9100000000000001 109.852 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.82 103.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 1.0 110.573 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.9 mmmm -86.87 135.34 33.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.825 -0.625 . . . . 2.23 109.705 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.0 138.42 38.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.234 0.54 . . . . 2.52 110.296 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.93 -160.35 10.26 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 110.871 -0.892 . . . . 1.04 110.871 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.18 89.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.188 -0.301 . . . . 3.1899999999999999 110.188 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 52.64 44.99 29.5 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.541 -0.754 . . . . 1.3799999999999999 110.143 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' CB ' HG22 ' A' ' 27' ' ' THR . 35.1 pttt -155.1 166.54 33.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.93999999999999995 111.258 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -128.77 135.9 49.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.835 -0.802 . . . . 0.68999999999999995 108.835 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 12.2 p90 -150.93 155.28 38.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.126 0.489 . . . . 1.1599999999999999 111.0 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 131.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.92000000000000004 109.287 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.68 -160.6 31.73 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.489 -0.862 . . . . 1.52 112.532 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.15 -38.46 16.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 2.6200000000000001 110.433 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -150.06 168.46 23.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.451 -0.795 . . . . 1.6000000000000001 109.149 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.87 -42.74 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 2.7200000000000002 110.459 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -78.4 -38.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.765 -0.652 . . . . 2.9199999999999999 110.649 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.37 44.38 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.742 -0.663 . . . . 2.4500000000000002 110.689 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.68 41.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.402 -0.817 . . . . 1.1899999999999999 110.066 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD22 HD13 ' A' ' 47' ' ' LEU . 87.7 mt -83.88 -38.46 21.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.211 0.529 . . . . 1.3899999999999999 109.853 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.37 127.47 17.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.755 . . . . 0.77000000000000002 109.651 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -135.31 130.61 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.978 0.418 . . . . 1.3300000000000001 111.402 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.34 128.55 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.40999999999999998 109.272 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 p -116.77 148.08 41.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.59999999999999998 111.628 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 41.6 p90 -140.37 164.45 30.09 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.199 -0.667 . . . . 0.76000000000000001 109.199 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.24 149.56 29.55 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 3.6299999999999999 111.036 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -84.64 104.48 14.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.698 -0.683 . . . . 0.82999999999999996 109.595 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 m -76.96 -41.13 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.144 -0.48 . . . . 0.83999999999999997 112.235 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -123.02 -85.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.886 -0.326 . . . . 1.74 111.819 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -130.66 -56.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.377 0.51 . . . . 2.7200000000000002 112.377 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.54 10.82 9.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.867 0.365 . . . . 1.8400000000000001 111.237 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.87 124.58 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 2.25 110.85 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -108.23 122.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.521 -0.763 . . . . 0.53000000000000003 109.921 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 38.7 t30 -99.61 128.56 45.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.157 -0.474 . . . . 1.8200000000000001 111.559 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.2 mt -105.92 108.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.154 -0.684 . . . . 0.68999999999999995 109.154 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.71 -35.79 5.65 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.947 -0.301 . . . . 2.4700000000000002 111.751 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 44.7 t60 -106.73 127.07 53.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.496 0.665 . . . . 2.1200000000000001 111.623 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -149.79 110.06 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.286 -0.87 . . . . 0.72999999999999998 109.16 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.41 133.6 7.43 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.018 -1.086 . . . . 0.69999999999999996 112.714 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.597 ' HB ' H142 ' A' ' 103' ' ' ACO . 38.4 t -128.34 146.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.928 -0.767 . . . . 0.93000000000000005 108.928 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -72.03 120.71 18.01 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.948 -0.301 . . . . 1.8300000000000001 110.226 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.79 -37.08 76.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.464 0.65 . . . . 3.1200000000000001 109.434 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -84.98 60.72 6.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.259 -0.882 . . . . 3.7999999999999998 109.937 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.477 HD13 HD22 ' A' ' 23' ' ' LEU . 59.7 tp -127.91 -68.33 0.78 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.662 -0.699 . . . . 4.4699999999999998 110.493 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.42 -58.47 0.7 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.707 -0.759 . . . . 3.8599999999999999 111.3 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -89.19 77.18 1.75 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.216 -0.754 . . . . 3.0499999999999998 111.216 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -75.24 2.24 11.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.727 0.299 . . . . 3.4399999999999999 111.688 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.64 -10.12 63.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.274 -0.488 . . . . 1.1100000000000001 112.389 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 49' ' ' GLY . 39.6 t -58.89 -33.96 51.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.406 . . . . 1.1399999999999999 110.8 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.96 -32.47 80.12 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.836 -0.62 . . . . 0.58999999999999997 112.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -66.51 -42.87 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.938 0.399 . . . . 2.02 110.119 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.74 -40.68 88.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.811 -0.631 . . . . 2.5699999999999998 111.033 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.68 -50.46 73.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.837 0.351 . . . . 0.85999999999999999 110.468 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 61' ' ' VAL . 23.2 tp -63.72 -41.72 98.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.29 110.508 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.95 -44.43 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 1.3899999999999999 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.56000000000000005 111.12 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.0 -47.57 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.44 110.002 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.2 t -61.81 -44.83 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.53000000000000003 111.031 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -58.78 -48.54 80.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.997 -0.547 . . . . 1.76 110.892 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 14.7 t60 -68.71 -31.05 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.555 . . . . 1.04 111.038 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.4 -44.48 87.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.84999999999999998 110.479 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.589 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 8.4 tpt180 -62.74 -34.79 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.365 -0.38 . . . . 3.1200000000000001 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.0 mt-10 -63.23 -47.83 80.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.8200000000000001 111.79 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -95.02 11.24 32.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.182 0.438 . . . . 1.3999999999999999 112.182 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.2 t30 59.29 37.79 23.45 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.401 0.62 . . . . 2.1800000000000002 111.369 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.4 mt -82.51 158.01 23.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.78000000000000003 110.644 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -107.2 131.32 54.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.895 -0.78 . . . . 3.0499999999999998 108.895 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mt -103.12 128.61 55.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.85999999999999999 112.355 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.3 pt -134.46 143.67 37.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.436 -1.256 . . . . 0.98999999999999999 107.754 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.41 125.4 24.31 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.655 -0.818 . . . . 0.5 112.992 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -88.44 -19.1 26.97 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.727 -1.212 . . . . 0.93999999999999995 107.727 176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 77' ' ' PHE . 34.8 t -70.16 115.99 10.0 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.395 -1.275 . . . . 1.3100000000000001 110.4 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -59.49 -27.65 66.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.427 -0.352 . . . . 1.1200000000000001 111.089 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.511 ' CZ ' H143 ' A' ' 103' ' ' ACO . 74.7 t80 -74.01 -59.61 2.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.94999999999999996 110.915 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.39 79.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.5 111.377 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 60.7 tttm -59.84 -46.57 88.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 1.27 110.353 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 64.7 t60 -64.66 -31.33 72.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.257 -0.429 . . . . 1.21 111.068 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 49.1 mtp -67.37 -37.09 82.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 1.51 109.623 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.77 -32.51 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.452 -0.794 . . . . 0.57999999999999996 109.997 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 78.8 mt-10 -66.61 -36.53 82.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.406 0.622 . . . . 1.46 109.811 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -70.34 -50.18 41.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.123 -0.944 . . . . 2.3300000000000001 111.038 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.51 94.75 9.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.173 -0.467 . . . . 1.6000000000000001 110.78 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.56 -26.36 66.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 2.6600000000000001 110.618 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.27 68.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 1.46 111.661 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -90.56 -6.16 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 1.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -82.24 32.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.246 0.546 . . . . 2.4199999999999999 111.22 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.589 ' OD2' ' HD3' ' A' ' 65' ' ' ARG . 13.9 p-10 -106.0 -42.91 4.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.9 -0.778 . . . . 2.4399999999999999 108.9 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 m -98.88 -21.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.409 0.623 . . . . 0.87 109.603 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -85.14 136.1 33.69 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.4 -0.818 . . . . 1.1399999999999999 109.17 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 69.5 mt -76.41 58.58 1.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.266 0.555 . . . . 1.4199999999999999 111.514 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.38 -15.93 63.3 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 110.495 -1.042 . . . . 3.6400000000000001 110.495 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -95.17 83.11 3.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.882 -0.659 . . . . 6.5 109.528 178.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.89 -54.02 4.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.361 -0.381 . . . . 5.1500000000000004 110.862 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -179.77 -32.65 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.367 0.506 . . . . 5.8799999999999999 112.367 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -99.73 -34.66 10.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.301 0.482 . . . . 6.29 112.301 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 95' ' ' LEU . 1.4 m80 58.36 -171.47 0.11 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.12 0.486 . . . . 10.4 112.217 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.477 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 1.5 t60 59.78 -92.85 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.405 -0.816 . . . . 10.369999999999999 111.61 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 23.2 t-80 -177.16 -53.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.999 -0.741 . . . . 9.4900000000000002 108.999 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.242 0.707 0 CA-C-O 118.668 -0.682 . . . . 12.66 109.734 178.822 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.704 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 mtt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.181 -0.303 . . . . 6.9500000000000002 110.181 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -85.8 80.1 9.06 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.466 -0.568 . . . . 6.4699999999999998 109.466 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -114.37 175.96 5.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.772 -0.649 . . . . 3.3500000000000001 110.553 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 mp 59.15 41.59 20.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.124 0.488 . . . . 2.4900000000000002 110.206 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -80.76 175.99 10.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.694 -0.685 . . . . 2.9100000000000001 110.523 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -80.09 98.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.816 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -87.87 114.39 24.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.129 -0.487 . . . . 2.23 110.068 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -75.57 142.53 42.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 2.52 111.598 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.6 -168.07 12.05 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.476 -1.049 . . . . 1.04 110.476 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.48 95.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.331 0.566 . . . . 3.1899999999999999 110.475 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.71 39.76 23.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.971 -0.558 . . . . 1.3799999999999999 110.39 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.535 ' HB3' HG22 ' A' ' 27' ' ' THR . 62.6 pttt -163.48 177.05 9.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.217 0.532 . . . . 0.93999999999999995 112.099 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -138.11 137.11 37.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.861 -1.163 . . . . 0.68999999999999995 107.861 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -144.08 156.13 44.24 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.4 -0.52 . . . . 1.1599999999999999 111.416 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.94 118.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.92000000000000004 109.756 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.42 174.39 28.07 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 111.355 -0.698 . . . . 1.52 111.355 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -70.91 -55.26 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.925 0.393 . . . . 2.6200000000000001 110.813 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -125.63 156.45 39.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.933 -0.576 . . . . 1.6000000000000001 109.458 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.87 -33.54 70.6 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.042 0.214 . . . . 2.7200000000000002 111.399 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.97 -16.42 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.244 0.545 . . . . 2.9199999999999999 110.94 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -125.4 36.55 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 2.4500000000000002 110.102 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 113.63 13.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.573 -0.74 . . . . 1.1899999999999999 110.725 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.55 -38.6 81.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.3899999999999999 109.665 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -144.78 137.87 26.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.065 -0.97 . . . . 0.77000000000000002 109.988 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -143.69 130.08 19.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.874 0.369 . . . . 1.3300000000000001 110.967 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -122.54 140.1 47.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.129 -0.693 . . . . 0.40999999999999998 109.129 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -122.79 148.12 45.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.77 -0.196 . . . . 0.59999999999999998 110.996 -179.152 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -140.34 139.49 35.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.804 -0.443 . . . . 0.76000000000000001 109.804 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.27 158.43 41.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.511 -0.313 . . . . 3.6299999999999999 110.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -92.87 109.4 20.83 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.381 -0.372 . . . . 0.82999999999999996 110.309 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.22 -35.86 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.045 0.45 . . . . 0.83999999999999997 110.449 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.3 -80.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.74 110.2 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -161.93 -50.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 2.7200000000000002 110.387 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -101.61 13.79 33.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.488 0.661 . . . . 1.8400000000000001 110.079 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.09 130.92 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 2.25 110.412 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 pt -121.74 130.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 0.53000000000000003 110.704 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.3 p-10 -106.88 139.65 40.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.878 -0.601 . . . . 1.8200000000000001 110.505 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.42 113.69 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.781 -0.645 . . . . 0.68999999999999995 109.478 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.18 -72.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.424 -0.807 . . . . 2.4700000000000002 110.707 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -139.17 155.29 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 2.1200000000000001 110.954 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -134.45 93.18 3.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.794 -0.639 . . . . 0.72999999999999998 109.877 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.79 97.44 1.78 Allowed Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.399 -0.905 . . . . 0.69999999999999996 112.254 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.654 ' HB ' H142 ' A' ' 103' ' ' ACO . 2.9 t -108.52 162.96 6.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.536 -0.542 . . . . 0.93000000000000005 109.536 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.26 134.97 57.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.056 0.455 . . . . 1.8300000000000001 111.024 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -19.0 65.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.685 . . . . 3.1200000000000001 110.977 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.98 44.72 0.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.697 -0.683 . . . . 3.7999999999999998 110.991 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.9 mt 56.23 37.53 28.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.998 -0.546 . . . . 4.4699999999999998 111.305 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.41 -9.44 68.43 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.774 -0.727 . . . . 3.8599999999999999 112.336 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.13 7.33 71.75 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.868 -0.682 . . . . 3.0499999999999998 112.706 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -86.51 -20.36 28.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.948 0.404 . . . . 3.4399999999999999 110.081 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.67 -54.38 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.004 -0.617 . . . . 1.1100000000000001 112.314 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.93 -49.44 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.121 0.486 . . . . 1.1399999999999999 110.872 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.38 -38.36 94.87 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.913 -0.66 . . . . 0.58999999999999997 112.562 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HE3' ' SD ' ' A' ' 81' ' ' MET . 20.4 mtpt -65.03 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.644 0.259 . . . . 2.02 110.598 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.68 -43.58 98.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 2.5699999999999998 110.66 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.47 -42.05 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.85999999999999999 110.472 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 81' ' ' MET . 1.3 mt -64.22 -37.82 88.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.29 110.048 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.86 78.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.873 -0.603 . . . . 1.3899999999999999 110.468 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.32 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.56000000000000005 110.632 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.8 t -69.5 -43.74 80.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.77 -0.65 . . . . 0.44 109.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.7 t -62.98 -35.86 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 0.53000000000000003 109.94 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.1 tp10 -62.84 -47.39 83.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.057 -0.52 . . . . 1.76 109.882 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 6.5 t60 -64.76 -33.5 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 1.04 109.772 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.26 83.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.651 -0.704 . . . . 0.84999999999999998 109.948 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.3 mtt-85 -75.62 -32.53 60.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 3.1200000000000001 110.302 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 58.2 mt-10 -63.46 -47.05 83.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 1.8200000000000001 111.946 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.488 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 6.6 m120 -103.44 2.51 33.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.006 0.373 . . . . 1.3999999999999999 112.006 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 61.12 46.36 8.22 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.109 0.48 . . . . 2.1800000000000002 111.111 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -89.27 159.48 17.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.725 -0.67 . . . . 0.78000000000000003 111.261 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -93.2 134.53 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.101 -0.703 . . . . 3.0499999999999998 109.101 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 mm -102.0 124.95 56.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.229 0.538 . . . . 0.85999999999999999 111.757 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -135.89 149.44 27.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.086 -1.079 . . . . 0.98999999999999999 108.086 177.292 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.71 138.7 52.87 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.506 -0.477 . . . . 0.5 112.147 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -95.35 -30.06 14.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.783 -0.644 . . . . 0.93999999999999995 110.031 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 151.55 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 1.3100000000000001 111.121 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -54.22 29.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 1.1200000000000001 111.959 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.452 ' CD2' H143 ' A' ' 103' ' ' ACO . 90.1 t80 -56.53 -49.82 73.65 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.917 0.34 . . . . 0.94999999999999996 111.917 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.46 -49.5 72.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.5 110.633 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 32.1 tttm -63.63 -44.82 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 1.27 110.699 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.472 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 35.6 t60 -58.69 -37.37 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 1.21 111.533 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.717 ' HG2' HD13 ' A' ' 57' ' ' LEU . 42.4 tpp -65.65 -42.57 91.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 1.51 109.915 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -66.06 -30.26 70.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.375 -0.829 . . . . 0.57999999999999996 110.931 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 72.6 mt-10 -70.81 -32.32 69.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 1.46 110.556 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -84.65 -48.48 9.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.924 -0.58 . . . . 2.3300000000000001 111.853 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.44 105.65 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.113 0.483 . . . . 1.6000000000000001 110.867 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.825 -0.625 . . . . 2.6600000000000001 111.203 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -27.7 69.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 1.46 111.296 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -81.01 -24.09 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.489 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.67 -10.17 49.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.331 -0.395 . . . . 2.4199999999999999 110.797 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.18 -35.01 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.226 0.536 . . . . 2.4399999999999999 109.846 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.8 -28.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.87 110.874 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.465 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 16.6 t80 -77.72 134.01 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.1399999999999999 110.329 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.8 80.57 6.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 1.4199999999999999 110.082 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.61 4.17 63.69 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.755 -0.657 . . . . 3.6400000000000001 112.717 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -34.48 78.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.953 0.406 . . . . 6.5 110.294 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -91.65 93.58 8.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 5.1500000000000004 109.84 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -133.96 42.77 2.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.285 0.564 . . . . 5.8799999999999999 110.511 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -69.6 128.5 36.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.502 -0.772 . . . . 6.29 110.329 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.1 t60 62.93 76.3 0.37 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.574 -0.739 . . . . 10.4 110.588 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -118.91 93.98 4.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.724 -0.671 . . . . 10.369999999999999 109.902 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -133.76 93.52 3.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.317 -0.401 . . . . 9.4900000000000002 111.057 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.652 -0.689 . . . . 12.66 109.633 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.736 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.839 0.352 . . . . 6.9500000000000002 110.532 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.8 -62.4 1.13 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.199 -0.455 . . . . 6.4699999999999998 110.049 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.447 ' OD1' ' HG2' ' A' ' 5' ' ' GLU . 12.8 t-20 -169.46 147.06 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.601 -0.727 . . . . 3.3500000000000001 109.445 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.55 70.14 8.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.074 0.464 . . . . 2.4900000000000002 110.121 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 15' ' ' ILE . 5.7 mm-40 -110.35 142.52 41.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.67 -0.696 . . . . 2.9100000000000001 110.941 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.69 96.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 125.13 36.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.588 -0.523 . . . . 2.23 109.588 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -91.76 146.18 23.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.255 0.55 . . . . 2.52 110.937 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.3 -164.72 11.53 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.312 -1.115 . . . . 1.04 110.312 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.65 93.55 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.295 0.547 . . . . 3.1899999999999999 110.027 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 54.43 42.75 31.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.688 -0.687 . . . . 1.3799999999999999 110.454 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -158.14 168.08 28.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.93999999999999995 110.712 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' HB3' HD22 ' A' ' 56' ' ' LEU . 77.6 m-85 -134.22 139.5 45.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.824 -0.806 . . . . 0.68999999999999995 108.824 178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -152.99 149.55 28.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.183 0.516 . . . . 1.1599999999999999 111.643 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 5' ' ' GLU . 63.8 mt -135.15 132.92 53.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.267 -0.879 . . . . 0.92000000000000004 109.197 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.67 -148.73 9.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.403 -0.903 . . . . 1.52 112.407 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.68 -25.95 14.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.185 0.517 . . . . 2.6200000000000001 110.818 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -163.8 172.09 14.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 1.6000000000000001 109.489 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -53.07 -42.46 65.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 2.7200000000000002 110.728 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.39 -25.14 25.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.188 0.518 . . . . 2.9199999999999999 110.307 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.47 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 2.4500000000000002 109.802 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.18 108.33 15.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.523 -0.762 . . . . 1.1899999999999999 110.733 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -65.79 -40.35 91.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 1.3899999999999999 109.925 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.38 121.6 26.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.488 -0.778 . . . . 0.77000000000000002 109.58 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -133.38 128.46 35.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.0 0.428 . . . . 1.3300000000000001 110.867 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.4 tt -129.27 117.71 44.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.537 -0.756 . . . . 0.40999999999999998 109.117 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.81 139.87 46.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.59999999999999998 111.189 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.6 173.74 11.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.938 -0.574 . . . . 0.76000000000000001 110.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.02 155.45 27.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.12 -0.326 . . . . 3.6299999999999999 110.12 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -82.56 115.45 21.54 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.308 -0.626 . . . . 0.82999999999999996 109.308 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.52 -41.74 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.424 -0.353 . . . . 0.83999999999999997 111.256 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -126.27 -86.99 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.749 -0.381 . . . . 1.74 111.447 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.76 -59.32 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.478 0.547 . . . . 2.7200000000000002 112.478 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -112.86 3.79 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.065 -0.254 . . . . 1.8400000000000001 111.51 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -99.69 124.86 45.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.009 0.433 . . . . 2.25 111.374 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pt -108.49 121.62 61.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.618 -0.719 . . . . 0.53000000000000003 109.556 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.7 t30 -105.68 124.21 49.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 1.8200000000000001 111.455 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.8 mt -81.01 121.68 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.017 -0.734 . . . . 0.68999999999999995 109.017 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.02 -49.71 6.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.339 -0.392 . . . . 2.4700000000000002 111.888 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -129.71 146.89 51.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.417 0.627 . . . . 2.1200000000000001 111.557 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -144.74 102.94 3.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.093 -0.958 . . . . 0.72999999999999998 109.24 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.53 122.04 5.23 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.711 -0.757 . . . . 0.69999999999999996 112.256 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.494 ' HB ' H142 ' A' ' 103' ' ' ACO . 7.1 t -129.05 142.06 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 110.36 -0.237 . . . . 0.93000000000000005 110.36 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -78.68 92.44 4.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.856 0.836 . . . . 1.8300000000000001 109.764 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -75.41 -37.56 60.37 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.529 -1.214 . . . . 3.1200000000000001 111.527 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -70.69 -19.02 62.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 3.7999999999999998 110.568 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.38 -58.71 2.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.127 -0.488 . . . . 4.4699999999999998 110.577 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA2' HE22 ' A' ' 50' ' ' GLN . . . 141.38 63.92 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.488 -0.863 . . . . 3.8599999999999999 112.44 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.7 34.51 4.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.878 -0.677 . . . . 3.0499999999999998 112.034 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.476 HE22 ' HA2' ' A' ' 48' ' ' GLY . 24.2 mp0 -62.38 -56.74 15.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.836 0.35 . . . . 3.4399999999999999 110.851 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.14 -30.39 65.29 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.579 -0.819 . . . . 1.1100000000000001 111.743 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.34 -46.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.1399999999999999 110.948 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.88 98.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.923 -0.656 . . . . 0.58999999999999997 112.294 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -66.53 -34.02 76.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 2.02 110.818 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -39.19 73.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.428 -0.351 . . . . 2.5699999999999998 110.628 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' PHE . 9.9 mt -64.32 -42.62 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.677 -0.49 . . . . 0.85999999999999999 109.677 178.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.26 -35.12 80.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 1.29 109.517 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -62.56 -41.51 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.509 -0.768 . . . . 1.3899999999999999 110.119 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.35 90.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.56000000000000005 110.287 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.42 -43.76 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.44 109.972 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.484 HG21 ' CG ' ' A' ' 88' ' ' TYR . 63.9 t -62.82 -48.41 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.671 . . . . 0.53000000000000003 111.074 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -44.49 96.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 1.76 110.52 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.506 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 55.1 t60 -66.81 -32.18 73.29 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.958 -0.564 . . . . 1.04 110.718 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.84999999999999998 110.079 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -61.08 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 3.1200000000000001 110.696 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.506 ' OE2' ' HA ' ' A' ' 63' ' ' HIS . 44.0 mt-10 -58.1 -50.18 74.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.8200000000000001 111.333 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -100.97 14.45 31.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 1.3999999999999999 112.206 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.24 43.06 29.83 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.559 0.695 . . . . 2.1800000000000002 110.879 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -90.42 155.15 19.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.447 -0.797 . . . . 0.78000000000000003 110.821 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.0 mptt -109.97 134.16 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.43 -0.952 . . . . 3.0499999999999998 108.43 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.8 mt -100.84 139.42 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 112.937 0.717 . . . . 0.85999999999999999 112.937 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -144.22 157.23 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.215 -1.357 . . . . 0.98999999999999999 107.398 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.68 139.66 26.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.062 -0.655 . . . . 0.5 112.746 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -87.04 -35.39 18.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.552 -0.749 . . . . 0.93999999999999995 109.199 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 124.43 23.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.665 -0.698 . . . . 1.3100000000000001 109.621 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 m -55.14 -38.5 68.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.264 0.468 . . . . 1.1200000000000001 112.264 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CE2' H143 ' A' ' 103' ' ' ACO . 83.2 t80 -61.28 -55.27 33.82 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.34 -0.144 . . . . 0.94999999999999996 111.089 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.48 96.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.5 110.938 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HG2' ' OH ' ' A' ' 92' ' ' TYR . 6.6 tmtm? -61.1 -45.12 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 1.27 110.059 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 81.4 t60 -73.32 -24.08 60.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 1.21 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -52.72 44.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.773 0.32 . . . . 1.51 110.512 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.04 -26.89 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 0.57999999999999996 110.122 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 27.3 tt0 -72.12 -38.56 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.986 -1.007 . . . . 1.46 110.812 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.48 -44.55 19.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 2.3300000000000001 110.7 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -74.07 101.5 3.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 1.6000000000000001 110.74 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.46 -26.94 68.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 2.6600000000000001 110.783 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -67.59 -15.98 63.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 1.46 111.919 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.484 ' CG ' HG21 ' A' ' 61' ' ' VAL . 19.3 m-30 -108.56 2.61 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 1.0 110.901 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.93 11.56 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.154 0.427 . . . . 2.4199999999999999 112.154 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.53 -25.67 21.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 2.4399999999999999 110.642 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.62 -4.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.87 111.009 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.531 ' OH ' ' HG2' ' A' ' 79' ' ' LYS . 22.9 t80 -91.11 133.49 35.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.466 . . . . 1.1399999999999999 109.774 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt -83.55 45.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.206 -0.452 . . . . 1.4199999999999999 111.09 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -87.92 -21.27 47.11 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.735 -0.745 . . . . 3.6400000000000001 111.957 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -81.96 77.02 8.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.889 0.376 . . . . 6.5 110.19 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.516 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -89.19 -56.36 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.446 -0.343 . . . . 5.1500000000000004 111.159 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.516 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 22.6 p80 -177.68 -38.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.022 0.379 . . . . 5.8799999999999999 112.022 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -85.97 -42.03 14.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.675 -0.41 . . . . 6.29 111.343 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.2 m170 56.68 -176.9 0.05 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.14 0.576 . . . . 10.4 112.438 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.1 t60 62.09 -84.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.105 -0.952 . . . . 10.369999999999999 112.605 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -167.42 -53.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 9.4900000000000002 109.981 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.561 -0.733 . . . . 12.66 110.154 -179.9 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.649 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 mtt . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.887 -0.412 . . . . 6.9500000000000002 109.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -75.54 87.32 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.965 0.412 . . . . 6.4699999999999998 109.917 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -156.2 142.94 18.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.605 . . . . 3.3500000000000001 110.086 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.08 -100.13 0.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.179 -0.464 . . . . 2.4900000000000002 110.34 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 42.7 mt-10 69.18 137.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.346 0.658 . . . . 2.9100000000000001 111.711 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -81.03 84.21 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -72.86 126.64 30.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 2.23 109.867 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -109.71 126.08 53.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.049 0.452 . . . . 2.52 110.375 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.11 149.51 17.26 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.647 -0.706 . . . . 1.04 111.929 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 44.69 42.5 5.9 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.968 0.907 . . . . 3.1899999999999999 112.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 60.1 38.62 20.34 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.358 0.599 . . . . 1.3799999999999999 110.81 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -142.79 134.17 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.633 -0.712 . . . . 0.93999999999999995 110.835 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -100.52 115.01 29.12 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.331 -0.989 . . . . 0.68999999999999995 108.331 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -134.13 128.73 34.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.669 0.747 . . . . 1.1599999999999999 112.13 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 17.2 mt -91.36 119.75 39.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.127 -0.942 . . . . 0.92000000000000004 109.263 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.8 161.33 23.72 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.546 -0.835 . . . . 1.52 112.189 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.6 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.334 0.588 . . . . 2.6200000000000001 110.991 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -157.31 156.98 33.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.813 -0.63 . . . . 1.6000000000000001 109.585 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.22 -43.11 74.2 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.063 0.394 . . . . 2.7200000000000002 112.063 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -87.45 4.5 43.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.12 0.486 . . . . 2.9199999999999999 110.567 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.7 m-80 -115.07 20.04 15.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.721 -0.672 . . . . 2.4500000000000002 109.935 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 109.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 1.1899999999999999 110.847 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.77 -38.26 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.931 -0.577 . . . . 1.3899999999999999 109.785 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.62 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -145.62 126.86 14.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.77000000000000002 110.164 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.7 147.79 41.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.353 0.597 . . . . 1.3300000000000001 112.05 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.9 tt -131.31 132.47 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 0.40999999999999998 108.559 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -113.17 136.32 52.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.209 0.528 . . . . 0.59999999999999998 112.304 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -136.15 138.76 42.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.76000000000000001 109.402 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.2 mtm105 -125.46 141.69 51.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 3.6299999999999999 111.042 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.95 95.77 5.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.597 -0.729 . . . . 0.82999999999999996 109.604 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.71 -28.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.536 -0.302 . . . . 0.83999999999999997 110.925 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -144.3 33.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 1.74 110.993 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 67.85 -66.37 0.22 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.911 -0.586 . . . . 2.7200000000000002 111.533 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.437 ' HA ' HD22 ' A' ' 69' ' ' LEU . 2.3 m120 -90.45 18.79 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.18 0.514 . . . . 1.8400000000000001 110.003 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -138.54 115.37 10.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.303 -0.862 . . . . 2.25 109.209 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.31 124.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 0.53000000000000003 110.767 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.4 t30 -105.8 118.48 36.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.625 . . . . 1.8200000000000001 110.799 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.91 116.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.791 -0.818 . . . . 0.68999999999999995 108.791 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -78.74 -59.33 2.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 2.4700000000000002 111.591 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -141.19 167.86 21.16 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.522 -0.471 . . . . 2.1200000000000001 111.664 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -144.48 109.45 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.72999999999999998 109.97 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.37 93.45 0.66 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.847 -0.692 . . . . 0.69999999999999996 111.567 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.497 ' HB ' H142 ' A' ' 103' ' ' ACO . 11.8 t -99.82 150.74 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.763 0.316 . . . . 0.93000000000000005 111.309 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.22 141.23 58.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 1.8300000000000001 110.356 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.634 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 32.3 t70 -143.69 114.95 7.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.327 -0.397 . . . . 3.1200000000000001 111.069 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.82 -44.16 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 3.7999999999999998 110.511 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.83 -40.37 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.088 -0.505 . . . . 4.4699999999999998 110.632 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.495 ' HA2' ' OD1' ' A' ' 45' ' ' ASP . . . 118.5 1.34 15.65 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.707 -0.679 . . . . 3.8599999999999999 111.525 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.52 62.87 0.59 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.149 -0.548 . . . . 3.0499999999999998 111.924 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.634 ' NE2' ' HA ' ' A' ' 45' ' ' ASP . 1.4 mp0 -105.02 129.94 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.762 0.315 . . . . 3.4399999999999999 110.262 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.72 14.59 64.63 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.144 -0.551 . . . . 1.1100000000000001 112.651 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.17 -34.65 57.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.943 0.401 . . . . 1.1399999999999999 110.895 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.58 -29.47 75.26 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.8 -0.714 . . . . 0.58999999999999997 112.205 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 18.9 mttt -68.03 -39.74 83.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.946 -0.39 . . . . 2.02 109.946 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -42.66 99.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 2.5699999999999998 110.381 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.06 -45.35 77.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 0.85999999999999999 110.807 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.31 -39.1 92.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.29 110.335 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -60.78 -38.34 84.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 1.3899999999999999 110.421 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.33 97.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.56000000000000005 110.452 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.62 -47.03 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.44 110.14 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.59 -41.97 89.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 116.068 -0.515 . . . . 0.53000000000000003 110.842 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -60.31 -53.61 55.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.719 -0.673 . . . . 1.76 110.933 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 2.8 t60 -66.14 -32.7 74.3 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.802 -0.635 . . . . 1.04 111.247 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.25 -47.71 81.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.84999999999999998 111.102 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -62.57 -36.01 81.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.655 -0.248 . . . . 3.1200000000000001 111.14 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.565 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 52.2 mt-10 -58.26 -40.52 82.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.8200000000000001 111.496 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.69 8.8 33.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.33 -0.395 . . . . 1.3999999999999999 112.017 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.32 54.34 7.78 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.704 0.764 . . . . 2.1800000000000002 110.319 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 34' ' ' ASN . 33.8 mt -99.25 138.51 36.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.371 -0.831 . . . . 0.78000000000000003 110.924 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 93' ' ' LEU . 36.3 mtmt -82.82 132.26 35.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.932 -0.766 . . . . 3.0499999999999998 108.932 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.2 mt -105.8 128.46 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.378 0.609 . . . . 0.85999999999999999 112.558 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 2.3 pt -136.39 139.95 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.892 -1.049 . . . . 0.98999999999999999 108.538 178.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.92 138.97 53.38 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.799 -0.36 . . . . 0.5 111.447 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -94.84 -28.82 15.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.157 0.503 . . . . 0.93999999999999995 110.317 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 132.28 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.595 -0.73 . . . . 1.3100000000000001 110.341 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -36.35 76.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 1.1200000000000001 111.776 -179.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.511 ' CE2' H143 ' A' ' 103' ' ' ACO . 91.5 t80 -65.96 -57.34 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.94999999999999996 111.16 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.5 111.027 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -62.28 -40.84 97.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.566 . . . . 1.27 110.093 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -65.92 -37.08 85.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 1.21 110.387 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 36.7 mtp -68.55 -43.18 77.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.454 . . . . 1.51 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.91 -35.28 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.57999999999999996 110.249 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -78.86 -20.93 48.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.46 111.23 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -82.49 -50.51 8.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.668 0.271 . . . . 2.3300000000000001 111.114 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.01 115.27 23.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.835 0.35 . . . . 1.6000000000000001 111.167 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.62 -32.13 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 2.6600000000000001 111.37 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -34.56 77.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 1.46 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -88.8 -28.94 20.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.239 0.542 . . . . 1.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 9.8 tt0 -62.36 -19.47 63.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.443 -0.799 . . . . 2.4199999999999999 111.654 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.68 -49.13 72.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.732 0.301 . . . . 2.4399999999999999 111.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 91' ' ' VAL . 2.4 m -87.62 -12.4 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.87 111.318 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 39.1 t80 -85.07 94.88 8.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.409 0.623 . . . . 1.1399999999999999 109.697 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.605 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? -78.66 -29.12 45.54 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.586 -0.734 . . . . 1.4199999999999999 110.373 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 66.68 -110.9 3.75 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.946 -0.645 . . . . 3.6400000000000001 112.019 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.62 119.01 26.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.023 0.44 . . . . 6.5 110.194 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.38 -23.33 62.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 5.1500000000000004 110.824 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -140.21 140.46 35.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.0 -0.545 . . . . 5.8799999999999999 109.768 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.48 103.4 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.802 -0.444 . . . . 6.29 109.802 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -94.47 139.12 31.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.845 -0.616 . . . . 10.4 111.486 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -90.93 119.87 31.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.827 -0.805 . . . . 10.369999999999999 108.827 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -59.14 152.44 20.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.401 -0.363 . . . . 9.4900000000000002 110.83 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.384 -0.817 . . . . 12.66 110.126 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.511 H143 ' CE2' ' A' ' 77' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 mtt . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.619 0.247 . . . . 6.9500000000000002 110.373 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m -72.27 84.18 1.05 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.303 0.573 . . . . 6.4699999999999998 110.843 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -126.86 -170.01 2.13 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.193 -0.669 . . . . 3.3500000000000001 109.193 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mp 58.29 37.62 26.02 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.6 0.714 . . . . 2.4900000000000002 109.966 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.64 168.99 12.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.105 -0.952 . . . . 2.9100000000000001 110.408 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.61 HD13 ' HB2' ' A' ' 59' ' ' ALA . 18.1 mt -77.42 97.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.312 0.577 . . . . 1.0 109.95 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -81.41 123.89 28.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.623 -0.717 . . . . 2.23 110.436 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.28 142.54 45.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 2.52 110.672 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.3 -168.49 11.31 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.297 -0.721 . . . . 1.04 111.297 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.37 87.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 3.1899999999999999 111.229 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.23 39.48 30.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.554 0.693 . . . . 1.3799999999999999 110.089 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 27' ' ' THR . 59.3 pttt -156.69 171.63 20.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.01 -0.996 . . . . 0.93999999999999995 110.91 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -130.31 127.76 40.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.548 -0.908 . . . . 0.68999999999999995 108.548 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -136.0 146.72 47.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.678 -0.409 . . . . 1.1599999999999999 111.131 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -125.44 121.1 59.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.859 -0.61 . . . . 0.92000000000000004 109.778 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.76 -179.61 35.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.488 -0.645 . . . . 1.52 111.488 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.92 -49.36 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.031 0.443 . . . . 2.6200000000000001 110.743 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.76 164.26 27.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.714 -0.676 . . . . 1.6000000000000001 109.779 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.45 -23.93 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.313 . . . . 2.7200000000000002 111.198 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -88.42 -23.31 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.42 0.628 . . . . 2.9199999999999999 109.325 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -120.86 51.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.336 -0.847 . . . . 2.4500000000000002 109.242 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.35 148.04 22.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 1.1899999999999999 111.186 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 mt -74.99 -37.98 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.754 -0.832 . . . . 1.3899999999999999 108.754 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.508 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -172.17 145.2 1.72 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.165 -0.925 . . . . 0.77000000000000002 110.662 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -142.3 140.98 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.486 . . . . 1.3300000000000001 110.584 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -121.35 136.62 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.912 -0.585 . . . . 0.40999999999999998 109.752 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 12' ' ' LYS . 7.9 p -119.77 145.69 46.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.242 -0.435 . . . . 0.59999999999999998 110.289 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.53 153.63 46.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.739 0.304 . . . . 0.76000000000000001 110.408 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -135.3 158.97 43.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.123 -0.49 . . . . 3.6299999999999999 110.395 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -96.6 110.08 22.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.539 -0.541 . . . . 0.82999999999999996 109.539 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.1 m -78.73 -23.25 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.195 0.522 . . . . 0.83999999999999997 110.821 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -141.72 -88.73 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.764 -0.653 . . . . 1.74 109.275 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -151.47 -54.81 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 2.7200000000000002 110.575 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -102.0 12.6 36.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.316 0.579 . . . . 1.8400000000000001 110.305 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -122.38 121.06 35.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 2.25 110.234 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 pt -117.14 131.3 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.435 . . . . 0.53000000000000003 110.785 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -111.07 140.08 45.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.843 -0.617 . . . . 1.8200000000000001 110.05 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.38 114.35 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.13 -0.693 . . . . 0.68999999999999995 109.13 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -74.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 2.4700000000000002 110.75 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' HB2' ' S1P' ' A' ' 103' ' ' ACO . 21.8 p-80 -137.66 156.79 47.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 2.1200000000000001 110.922 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.14 97.0 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.72999999999999998 110.795 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.78 119.91 5.89 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.49 -0.862 . . . . 0.69999999999999996 110.972 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.738 ' HB ' H142 ' A' ' 103' ' ' ACO . 27.1 t -128.99 137.98 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.647 0.26 . . . . 0.93000000000000005 110.732 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -85.08 152.86 23.09 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.895 -0.409 . . . . 1.8300000000000001 109.895 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -79.81 -28.44 40.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.293 0.568 . . . . 3.1200000000000001 109.834 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.47 83.37 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 3.7999999999999998 111.046 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.4 mt 57.24 38.58 28.8 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.815 -0.63 . . . . 4.4699999999999998 111.667 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.17 -56.59 0.83 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.55 -0.833 . . . . 3.8599999999999999 112.105 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.03 -14.03 79.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.859 -0.686 . . . . 3.0499999999999998 112.389 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -57.37 -54.54 45.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 3.4399999999999999 111.199 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.53 -33.77 0.21 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.424 -0.893 . . . . 1.1100000000000001 113.354 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 24' ' ' ALA . 20.3 t -58.33 -45.4 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.909 0.355 . . . . 1.1399999999999999 111.411 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -42.82 87.95 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.042 -0.599 . . . . 0.58999999999999997 112.711 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -69.66 -35.06 74.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 2.02 110.552 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -65.22 -35.12 80.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 2.5699999999999998 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 24' ' ' ALA . 96.1 mt -63.13 -53.28 55.9 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.85999999999999999 110.321 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.42 -30.65 71.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.724 -0.671 . . . . 1.29 110.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.85 -47.53 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 1.3899999999999999 110.176 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -61.28 -41.69 97.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.033 0.444 . . . . 0.56000000000000005 111.008 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.98 -47.13 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.44 110.152 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 73.4 t -63.35 -41.16 91.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.53000000000000003 110.373 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.9 mt-10 -58.48 -52.54 65.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.417 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.496 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.0 t60 -62.67 -31.76 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 1.04 110.52 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.2 -32.32 72.47 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.84999999999999998 110.049 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 35.5 mmt180 -74.75 -34.0 62.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.246 0.546 . . . . 3.1200000000000001 109.937 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 44.2 mt-10 -69.96 -50.6 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.531 -0.759 . . . . 1.8200000000000001 111.695 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -93.55 -4.4 51.05 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.362 0.505 . . . . 1.3999999999999999 112.362 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 62.91 44.26 6.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.098 0.475 . . . . 2.1800000000000002 110.533 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.01 153.25 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.511 -0.768 . . . . 0.78000000000000003 110.911 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.92 139.05 30.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.119 -0.697 . . . . 3.0499999999999998 109.119 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 38.7 mm -104.0 120.67 54.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.365 0.602 . . . . 0.85999999999999999 112.211 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -126.09 135.84 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.885 -1.154 . . . . 0.98999999999999999 107.885 177.557 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.4 120.62 38.14 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.871 0.693 . . . . 0.5 112.871 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -94.92 -32.27 13.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.333 -0.849 . . . . 0.93999999999999995 109.001 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 10.7 t -72.79 126.54 30.15 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.314 -0.857 . . . . 1.3100000000000001 109.858 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -43.14 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.525 0.565 . . . . 1.1200000000000001 112.525 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.564 ' CG ' H143 ' A' ' 103' ' ' ACO . 81.2 t80 -60.43 -55.2 36.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.94999999999999996 111.532 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.94 97.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.5 111.044 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -60.12 -41.18 92.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 1.27 110.51 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -65.11 -35.35 80.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 1.21 111.4 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.4 mtp -77.92 -43.33 30.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.815 0.341 . . . . 1.51 111.133 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 88' ' ' TYR . 25.1 mt -66.5 -28.51 68.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.57999999999999996 111.397 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -85.29 -17.38 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.04 -0.527 . . . . 1.46 110.988 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -88.17 -53.62 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 2.3300000000000001 111.198 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -69.7 129.13 38.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 1.6000000000000001 110.939 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -63.22 -44.14 96.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.612 -0.722 . . . . 2.6600000000000001 111.314 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -29.5 70.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 1.46 111.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.536 ' HB3' HD23 ' A' ' 82' ' ' LEU . 10.9 m-30 -81.97 -28.79 32.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.484 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 7.8 tp60 -69.05 -14.23 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 2.4199999999999999 111.053 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -78.24 -34.94 48.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.172 -0.467 . . . . 2.4399999999999999 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -36.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.87 110.79 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 8.6 t80 -80.49 131.95 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.89 -0.595 . . . . 1.1399999999999999 110.23 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 mt -74.02 72.2 1.63 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.29 0.567 . . . . 1.4199999999999999 110.983 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.82 12.32 56.28 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.026 -0.607 . . . . 3.6400000000000001 112.022 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -72.79 -15.15 61.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.795 0.331 . . . . 6.5 111.231 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.54 66.52 0.97 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.149 0.499 . . . . 5.1500000000000004 110.494 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -89.96 51.2 2.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.446 0.641 . . . . 5.8799999999999999 110.33 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -67.4 123.16 19.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.179 -0.919 . . . . 6.29 110.583 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 t60 57.85 65.38 1.33 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.616 -0.72 . . . . 10.4 110.157 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -91.35 77.53 5.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.732 -0.667 . . . . 10.369999999999999 110.12 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -130.09 88.96 2.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.128 -0.487 . . . . 9.4900000000000002 110.271 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.223 -0.894 . . . . 12.66 109.557 -179.844 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.738 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.307 -0.257 . . . . 6.9500000000000002 110.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -58.58 122.48 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 6.4699999999999998 110.718 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -156.91 171.13 20.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.361 -0.381 . . . . 3.3500000000000001 110.168 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.09 51.47 2.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.105 0.479 . . . . 2.4900000000000002 111.276 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -90.9 149.84 21.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.908 -0.587 . . . . 2.9100000000000001 109.844 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.0 mt -76.92 104.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.567 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -88.07 117.95 27.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.279 -0.637 . . . . 2.23 109.279 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -88.6 124.06 33.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.863 -0.608 . . . . 2.52 112.157 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.4 -173.05 19.02 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 109.463 -1.455 . . . . 1.04 109.463 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.94 101.04 1.04 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.952 0.876 . . . . 3.1899999999999999 111.032 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 39.3 m-80 63.17 38.75 10.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.081 -0.963 . . . . 1.3799999999999999 111.353 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -163.15 153.91 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.93999999999999995 111.399 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -126.43 128.07 46.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.355 -0.98 . . . . 0.68999999999999995 108.355 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -136.57 147.9 47.25 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.317 -0.553 . . . . 1.1599999999999999 111.654 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG13 HD21 ' A' ' 56' ' ' LEU . 91.2 mt -122.2 124.03 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.558 -0.746 . . . . 0.92000000000000004 109.863 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.52 166.56 29.62 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.161 -0.776 . . . . 1.52 111.161 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -72.47 -28.27 62.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.917 0.358 . . . . 2.6200000000000001 110.449 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -140.93 161.2 38.39 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 1.6000000000000001 109.713 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -66.07 -37.61 86.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 2.7200000000000002 110.872 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -73.92 -29.52 62.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 2.9199999999999999 110.097 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -102.71 44.71 1.0 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.216 0.531 . . . . 2.4500000000000002 110.366 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 105.71 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 1.1899999999999999 109.948 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.79 -40.01 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 1.3899999999999999 110.575 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -149.11 144.24 26.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.85 -0.614 . . . . 0.77000000000000002 109.904 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -151.29 149.93 29.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.052 0.453 . . . . 1.3300000000000001 110.979 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.36 135.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.511 -0.768 . . . . 0.40999999999999998 109.097 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -114.69 139.47 49.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.724 0.297 . . . . 0.59999999999999998 111.035 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.4 p90 -138.57 162.94 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.544 -0.539 . . . . 0.76000000000000001 109.544 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -161.34 145.45 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.767 0.318 . . . . 3.6299999999999999 111.102 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -80.34 103.41 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.82999999999999996 110.06 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 m -90.67 -15.97 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.256 -0.429 . . . . 0.83999999999999997 111.051 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -137.37 -163.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.157 -0.682 . . . . 1.74 109.157 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -65.27 -43.56 90.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.559 0.218 . . . . 2.7200000000000002 111.056 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -138.85 24.6 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.687 0.279 . . . . 1.8400000000000001 110.844 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 58.2 mt-10 -107.52 124.16 49.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.798 0.332 . . . . 2.25 110.641 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pt -110.0 123.16 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.53000000000000003 110.439 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 20.2 t-20 -102.8 130.0 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.915 -0.584 . . . . 1.8200000000000001 110.993 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.44 115.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.835 -0.621 . . . . 0.68999999999999995 109.407 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' O ' HH31 ' A' ' 103' ' ' ACO . 5.7 t70 -72.84 -68.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.321 -0.854 . . . . 2.4700000000000002 111.861 -178.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -144.24 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 2.1200000000000001 111.397 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -139.58 113.62 8.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.35 -0.841 . . . . 0.72999999999999998 109.563 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -118.95 127.35 7.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.426 -0.892 . . . . 0.69999999999999996 112.134 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.7 130.25 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.999 -0.371 . . . . 0.93000000000000005 109.999 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -76.01 136.87 39.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.239 0.543 . . . . 1.8300000000000001 110.591 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -100.32 -3.58 30.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.473 -0.785 . . . . 3.1200000000000001 110.522 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -68.68 -24.64 64.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.224 0.535 . . . . 3.7999999999999998 110.703 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -86.66 -11.13 52.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 4.4699999999999998 109.949 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.86 -103.12 0.72 Allowed Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.604 -0.725 . . . . 3.8599999999999999 111.766 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.13 45.52 0.16 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.609 -0.597 . . . . 3.0499999999999998 111.609 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -67.47 166.03 15.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.852 0.358 . . . . 3.4399999999999999 110.388 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.8 32.44 1.93 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.251 -0.5 . . . . 1.1100000000000001 113.166 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.82 -41.43 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.02 0.438 . . . . 1.1399999999999999 110.201 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.14 -32.51 72.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.917 -0.659 . . . . 0.58999999999999997 111.838 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -70.82 -40.77 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.546 -0.539 . . . . 2.02 109.546 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.72 -40.81 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.242 -0.89 . . . . 2.5699999999999998 110.185 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 15' ' ' ILE . 55.8 mt -70.1 -44.28 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.85999999999999999 111.234 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 61' ' ' VAL . 59.9 tp -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.774 0.321 . . . . 1.29 110.304 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 17.1 ttpp -62.49 -38.73 90.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 1.3899999999999999 110.583 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.08 78.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.828 0.347 . . . . 0.56000000000000005 110.861 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.88 -51.44 27.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.078 -0.51 . . . . 0.44 110.423 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.422 HG11 ' CE1' ' A' ' 88' ' ' TYR . 61.6 t -60.18 -38.75 78.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.095 -0.502 . . . . 0.53000000000000003 111.276 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.1 tt0 -57.99 -49.96 75.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.857 -0.61 . . . . 1.76 110.379 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 21.7 t60 -70.67 -30.43 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.787 -0.642 . . . . 1.04 110.699 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -62.65 -47.67 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.84999999999999998 110.018 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -61.66 -36.4 80.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 3.1200000000000001 110.963 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 59.2 mt-10 -61.05 -40.94 95.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 1.8200000000000001 111.598 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -99.76 8.06 44.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.536 -0.302 . . . . 1.3999999999999999 111.518 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.1 m120 57.64 37.92 27.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.411 0.624 . . . . 2.1800000000000002 110.577 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 64' ' ' ALA . 69.0 mt -79.7 156.39 27.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.661 -0.699 . . . . 0.78000000000000003 110.987 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -101.33 132.98 46.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 3.0499999999999998 108.791 178.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 mt -106.3 133.41 50.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.459 0.647 . . . . 0.85999999999999999 112.631 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.637 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.1 pt -135.17 130.3 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.566 -1.272 . . . . 0.98999999999999999 107.566 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.43 124.03 37.49 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.551 0.574 . . . . 0.5 112.551 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 m -87.35 -24.61 24.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.337 -0.986 . . . . 0.93999999999999995 108.337 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 15.8 t -67.86 116.59 8.69 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.673 -1.149 . . . . 1.3100000000000001 109.703 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 1.1200000000000001 111.748 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.44 -53.79 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.94999999999999996 110.744 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.59 93.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.5 110.737 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.746 -0.661 . . . . 1.27 110.304 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -63.64 -41.23 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 1.21 111.767 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.496 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 3.7 ttm -77.72 -32.23 52.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.851 -0.34 . . . . 1.51 111.745 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 ' CD1' ' A' ' 92' ' ' TYR . 26.2 mt -70.17 -37.95 75.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 0.57999999999999996 110.64 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.17 -15.45 47.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.155 -0.475 . . . . 1.46 110.792 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 81' ' ' MET . 12.1 tttm -51.54 -40.91 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.76 -0.654 . . . . 2.3300000000000001 111.239 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.21 141.4 51.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.992 -0.549 . . . . 1.6000000000000001 110.23 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -3.23 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.51 . . . . 2.6600000000000001 110.657 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -68.76 -11.43 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.46 110.792 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CE1' HG11 ' A' ' 61' ' ' VAL . 22.1 m-85 -115.76 11.36 15.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.843 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.51 -24.71 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.929 0.344 . . . . 2.4199999999999999 111.929 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -80.45 -31.19 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.565 -0.454 . . . . 2.4399999999999999 111.102 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.74 -41.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 0.87 111.46 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CD1' HD13 ' A' ' 82' ' ' LEU . 84.0 t80 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.89 0.376 . . . . 1.1399999999999999 110.12 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.2 67.49 8.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.113 0.482 . . . . 1.4199999999999999 110.084 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -83.3 61.18 4.8 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.739 -0.664 . . . . 3.6400000000000001 112.436 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.9 tp -103.74 100.48 10.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.924 0.392 . . . . 6.5 110.222 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.8 133.29 45.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.779 -0.646 . . . . 5.1500000000000004 110.212 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -78.43 83.0 4.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.773 0.797 . . . . 5.8799999999999999 110.871 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -100.78 14.67 30.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.493 -0.776 . . . . 6.29 110.305 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -81.68 69.35 8.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 10.4 110.27 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -138.15 136.3 36.53 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.753 -0.658 . . . . 10.369999999999999 109.763 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -121.83 117.95 27.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.461 -0.336 . . . . 9.4900000000000002 110.743 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.687 -0.673 . . . . 12.66 110.04 179.576 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.682 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 mtm . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.725 0.298 . . . . 6.9500000000000002 110.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -78.06 79.52 4.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.115 0.483 . . . . 6.4699999999999998 111.148 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -140.09 153.86 46.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 3.3500000000000001 109.75 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.89 -101.75 0.4 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.214 -0.448 . . . . 2.4900000000000002 110.072 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 55.1 mt-10 67.62 137.23 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.22 0.608 . . . . 2.9100000000000001 111.933 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' HG12 ' A' ' 15' ' ' ILE . 9.5 mt -83.23 81.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.694 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -71.87 128.35 35.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.839 -0.619 . . . . 2.23 109.628 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -109.62 122.08 46.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.243 0.544 . . . . 2.52 110.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.18 145.13 11.49 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.468 -0.787 . . . . 1.04 111.72 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 42.48 48.96 4.64 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.993 0.917 . . . . 3.1899999999999999 112.903 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 57.12 36.71 27.94 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.389 0.614 . . . . 1.3799999999999999 110.774 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 27' ' ' THR . 21.4 ttpt -141.83 129.16 21.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.512 -0.767 . . . . 0.93999999999999995 111.161 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -97.77 110.9 23.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.936 -1.135 . . . . 0.68999999999999995 107.936 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -122.96 119.5 30.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.571 0.7 . . . . 1.1599999999999999 111.279 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 30.9 mt -91.36 112.6 25.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.737 -0.838 . . . . 0.92000000000000004 108.737 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.5 174.4 43.84 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.393 -0.908 . . . . 1.52 112.187 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.88 -13.92 43.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.125 0.488 . . . . 2.6200000000000001 111.146 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -155.37 159.29 39.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.414 -0.357 . . . . 1.6000000000000001 110.593 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -63.81 -27.53 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 2.7200000000000002 110.579 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 4.14 50.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.167 0.508 . . . . 2.9199999999999999 110.218 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -136.52 55.63 1.84 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.822 -0.626 . . . . 2.4500000000000002 110.279 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.08 127.64 36.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.146 -0.479 . . . . 1.1899999999999999 110.295 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.36 -23.26 57.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 1.3899999999999999 109.263 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.49 135.94 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.837 . . . . 0.77000000000000002 110.169 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.6 131.58 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.294 0.569 . . . . 1.3300000000000001 111.467 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.21 129.03 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.844 -0.798 . . . . 0.40999999999999998 108.844 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 12' ' ' LYS . 60.5 p -115.51 136.79 52.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.99 0.424 . . . . 0.59999999999999998 111.457 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -134.73 135.84 42.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.147 -0.686 . . . . 0.76000000000000001 109.147 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -117.98 142.41 47.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.955 0.407 . . . . 3.6299999999999999 111.423 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -83.73 102.51 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.642 -0.708 . . . . 0.82999999999999996 109.851 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 m -88.91 -29.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.74 0.305 . . . . 0.83999999999999997 111.581 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 40.6 t0 -145.46 37.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 1.74 110.276 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 63.23 -73.03 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.471 -0.786 . . . . 2.7200000000000002 112.523 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 12.8 m120 -80.59 12.85 2.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 1.8400000000000001 110.999 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 5.0 mt-10 -133.64 113.74 12.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.482 -0.562 . . . . 2.25 109.482 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -111.44 123.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.53000000000000003 111.051 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.2 t30 -105.01 122.49 45.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.836 -0.62 . . . . 1.8200000000000001 110.524 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.551 HG22 ' SG ' ' A' ' 75' ' ' CYS . 82.9 mt -74.7 115.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.291 -0.633 . . . . 0.68999999999999995 109.291 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.61 -59.81 2.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 2.4700000000000002 111.219 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -143.96 159.88 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 2.1200000000000001 111.399 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -145.59 105.16 3.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.525 -0.761 . . . . 0.72999999999999998 109.058 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.06 143.33 18.04 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.415 -0.897 . . . . 0.69999999999999996 112.614 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.98 125.27 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.75 -0.463 . . . . 0.93000000000000005 109.75 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.8 96.07 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 1.8300000000000001 109.537 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 60.4 t0 -148.1 111.13 4.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.555 -0.748 . . . . 3.1200000000000001 110.536 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.49 -1.83 52.8 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.794 -0.639 . . . . 3.7999999999999998 110.539 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.79 -51.75 4.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.165 -0.471 . . . . 4.4699999999999998 109.934 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' H ' ' CG ' ' A' ' 45' ' ' ASP . . . 102.74 68.43 0.79 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.807 -0.711 . . . . 3.8599999999999999 112.384 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.08 11.59 0.02 OUTLIER Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.677 -0.773 . . . . 3.0499999999999998 113.474 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -61.9 130.08 43.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 117.077 0.439 . . . . 3.4399999999999999 111.014 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' HD3' ' A' ' 54' ' ' LYS . . . -88.89 -2.9 77.57 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 121.007 -0.616 . . . . 1.1100000000000001 113.156 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.8 m -59.69 -31.11 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.877 0.325 . . . . 1.1399999999999999 111.877 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.56 81.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.926 -0.654 . . . . 0.58999999999999997 112.514 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HD3' ' HA2' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -73.1 -41.51 63.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.259 -0.274 . . . . 2.02 110.259 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -63.53 -34.73 78.43 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.435 . . . . 2.5699999999999998 110.811 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.1 mt -64.06 -52.71 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.835 -0.62 . . . . 0.85999999999999999 110.529 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.95 -37.17 86.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.84 -0.618 . . . . 1.29 110.786 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -39.69 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.3899999999999999 110.424 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.68 94.44 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.224 -0.444 . . . . 0.56000000000000005 110.65 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -49.01 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.92 -0.582 . . . . 0.44 110.458 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.63 -44.81 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.53000000000000003 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.4 -45.97 92.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 1.76 110.765 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -67.34 -38.4 84.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.118 -0.492 . . . . 1.04 110.901 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.85 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.84999999999999998 111.267 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -68.6 -43.52 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.917 0.389 . . . . 3.1200000000000001 110.871 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -74.1 -35.77 64.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 1.8200000000000001 112.121 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -94.42 1.41 55.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.368 0.507 . . . . 1.3999999999999999 112.368 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 54.06 64.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.686 0.755 . . . . 2.1800000000000002 109.801 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.16 138.35 48.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.78000000000000003 111.195 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HB3' HD21 ' A' ' 93' ' ' LEU . 30.5 mtmt -84.99 124.18 31.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.242 -0.89 . . . . 3.0499999999999998 108.947 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.0 mt -95.67 132.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.486 0.66 . . . . 0.85999999999999999 112.393 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.2 pt -139.62 130.03 31.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.895 -1.15 . . . . 0.98999999999999999 107.895 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.29 145.3 48.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.498 0.555 . . . . 0.5 112.498 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -112.59 -8.16 13.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.533 -0.758 . . . . 0.93999999999999995 110.066 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.551 ' SG ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -91.29 136.34 33.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.74 -0.664 . . . . 1.3100000000000001 110.524 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -47.47 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 1.1200000000000001 112.179 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.439 ' CG ' H143 ' A' ' 103' ' ' ACO . 60.0 t80 -62.52 -54.69 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.556 -0.293 . . . . 0.94999999999999996 111.764 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.09 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.376 -0.375 . . . . 0.5 111.073 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.67 -46.73 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.27 110.253 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -60.32 -43.42 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 1.21 110.477 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mmm -65.07 -45.1 86.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 1.51 111.574 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 92' ' ' TYR . 33.3 mt -65.55 -37.15 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.384 . . . . 0.57999999999999996 111.002 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -79.44 -15.99 56.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.46 110.797 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -80.89 -52.69 7.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.862 -0.608 . . . . 2.3300000000000001 109.901 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.82 112.26 16.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.616 -0.72 . . . . 1.6000000000000001 110.481 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.34 -32.31 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.013 0.435 . . . . 2.6600000000000001 110.867 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -25.95 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.982 -0.554 . . . . 1.46 111.578 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -89.05 -17.55 29.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 1.0 111.05 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -74.15 -3.22 28.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.577 0.584 . . . . 2.4199999999999999 112.577 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.15 -28.47 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.751 -0.463 . . . . 2.4399999999999999 109.751 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.79 -16.78 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.891 -0.595 . . . . 0.87 110.99 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.495 ' CD1' HD13 ' A' ' 82' ' ' LEU . 64.5 t80 -99.0 128.41 45.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 1.1399999999999999 110.291 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -114.91 -39.29 3.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.099 -0.501 . . . . 1.4199999999999999 110.261 179.394 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.12 -142.28 29.22 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.802 -0.713 . . . . 3.6400000000000001 111.808 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.5 133.5 35.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.961 -0.385 . . . . 6.5 109.961 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -85.03 -7.51 59.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.482 0.658 . . . . 5.1500000000000004 110.289 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -149.59 143.46 25.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.297 -0.865 . . . . 5.8799999999999999 108.692 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -69.22 94.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.34 0.591 . . . . 6.29 109.617 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -88.88 124.7 34.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.182 -0.917 . . . . 10.4 110.553 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -71.77 127.03 31.27 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.124 -0.695 . . . . 10.369999999999999 109.124 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -55.46 148.15 16.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 9.4900000000000002 111.256 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.69 -0.671 . . . . 12.66 110.246 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.748 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.881 -0.414 . . . . 6.9500000000000002 109.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -86.41 84.24 7.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.452 0.644 . . . . 6.4699999999999998 110.421 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -143.44 131.79 22.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.356 -0.838 . . . . 3.3500000000000001 110.104 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -101.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.451 -0.341 . . . . 2.4900000000000002 110.793 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 67.19 125.88 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.31 0.644 . . . . 2.9100000000000001 111.477 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.43 96.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -85.44 131.31 34.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.884 -0.598 . . . . 2.23 109.576 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -111.81 128.75 56.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.906 0.384 . . . . 2.52 110.375 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.76 145.51 10.93 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.818 -0.706 . . . . 1.04 112.447 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 39.75 52.8 2.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.216 1.007 . . . . 3.1899999999999999 113.259 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 82.9 m-20 59.14 38.17 23.81 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.953 -0.567 . . . . 1.3799999999999999 111.628 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB2' HG22 ' A' ' 27' ' ' THR . 29.8 ttpt -146.97 136.89 23.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.176 -0.465 . . . . 0.93999999999999995 111.144 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -105.58 117.04 33.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.991 -1.114 . . . . 0.68999999999999995 107.991 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -132.08 136.42 47.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.52 0.676 . . . . 1.1599999999999999 111.563 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.8 mt -104.03 123.04 57.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.302 -0.863 . . . . 0.92000000000000004 109.559 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 165.61 29.04 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.826 -0.625 . . . . 1.52 111.725 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.38 -14.06 58.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.243 0.544 . . . . 2.6200000000000001 110.897 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -155.4 156.59 35.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.834 -0.621 . . . . 1.6000000000000001 109.662 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.81 -39.06 73.47 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.197 0.443 . . . . 2.7200000000000002 112.197 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.69 3.29 51.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.397 0.617 . . . . 2.9199999999999999 110.705 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -118.6 30.06 7.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.394 -0.821 . . . . 2.4500000000000002 109.033 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 101.79 2.28 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.973 -1.012 . . . . 1.1899999999999999 110.197 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.25 -34.17 75.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.772 -0.649 . . . . 1.3899999999999999 110.045 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -143.94 127.19 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.578 -0.737 . . . . 0.77000000000000002 110.008 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -140.66 136.17 32.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.481 0.658 . . . . 1.3300000000000001 111.505 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 tt -124.72 130.76 73.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.276 -0.874 . . . . 0.40999999999999998 108.686 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 12' ' ' LYS . 25.2 p -110.88 135.89 50.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.59999999999999998 111.583 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.7 p90 -134.29 136.68 43.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.334 -0.617 . . . . 0.76000000000000001 109.334 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -117.33 141.96 47.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.399 -0.364 . . . . 3.6299999999999999 111.325 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -82.11 85.87 6.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.891 -0.781 . . . . 0.82999999999999996 108.891 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -74.12 -23.55 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.83999999999999997 112.02 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.77 40.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 1.74 110.519 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.3 t30 65.8 -68.0 0.13 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.662 -0.699 . . . . 2.7200000000000002 112.028 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 -17.6 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.196 0.522 . . . . 1.8400000000000001 110.242 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -94.97 118.88 32.55 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.801 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 pt -112.37 122.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.194 0.521 . . . . 0.53000000000000003 111.051 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' HA ' HG13 ' A' ' 72' ' ' ILE . 8.5 t30 -103.36 117.07 33.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.597 -0.729 . . . . 1.8200000000000001 111.067 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 73' ' ' ALA . 81.8 mt -74.94 119.4 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.038 -0.727 . . . . 0.68999999999999995 109.038 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.67 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.4700000000000002 111.344 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -144.49 172.7 12.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 2.1200000000000001 111.66 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.7 m -148.34 101.37 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.72999999999999998 109.26 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.08 131.61 10.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.342 -0.933 . . . . 0.69999999999999996 113.153 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.564 ' HB ' H142 ' A' ' 103' ' ' ACO . 98.3 t -136.89 132.05 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.847 -0.427 . . . . 0.93000000000000005 109.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -76.07 128.85 35.84 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.036 -0.357 . . . . 1.8300000000000001 110.036 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -85.84 91.51 8.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.526 0.679 . . . . 3.1200000000000001 110.101 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -84.48 -53.16 5.61 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.358 -0.837 . . . . 3.7999999999999998 111.401 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.16 11.63 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 4.4699999999999998 111.761 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.64 -45.0 3.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.639 -0.791 . . . . 3.8599999999999999 112.781 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.33 61.26 4.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.119 -0.562 . . . . 3.0499999999999998 112.238 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -89.52 90.87 8.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.041 0.448 . . . . 3.4399999999999999 111.258 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.72 -11.64 84.38 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.893 -0.67 . . . . 1.1100000000000001 111.751 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.4 m -57.52 -36.41 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 122.479 0.312 . . . . 1.1399999999999999 111.38 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.67 99.82 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.819 -0.705 . . . . 0.58999999999999997 111.631 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.82 -34.55 73.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 2.02 109.864 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -36.68 85.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.563 -0.744 . . . . 2.5699999999999998 110.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 52' ' ' VAL . 75.1 mt -61.52 -55.65 28.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.127 -0.488 . . . . 0.85999999999999999 110.764 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.22 -36.84 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.667 . . . . 1.29 111.122 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -42.34 91.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.3899999999999999 110.372 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.28 76.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.56000000000000005 110.621 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.0 -50.23 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.44 110.541 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.41 -38.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 0.53000000000000003 111.203 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -60.84 -55.64 30.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.366 . . . . 1.76 110.521 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -62.64 -36.02 81.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.997 -0.547 . . . . 1.04 110.677 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.09 -51.02 66.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.149 -0.478 . . . . 0.84999999999999998 110.645 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -59.76 -42.26 92.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 3.1200000000000001 111.45 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -65.75 -30.72 71.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.23 0.456 . . . . 1.8200000000000001 112.23 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.31 9.94 35.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.671 0.249 . . . . 1.3999999999999999 111.671 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 55.05 45.16 26.86 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.586 0.707 . . . . 2.1800000000000002 110.759 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' ALA . 68.3 mt -92.32 144.17 25.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.669 . . . . 0.78000000000000003 110.676 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB3' HD22 ' A' ' 93' ' ' LEU . 45.5 mtmt -91.79 128.24 37.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.852 -0.796 . . . . 3.0499999999999998 108.852 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.35 122.12 50.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 113.239 0.829 . . . . 0.85999999999999999 113.239 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.446 HG13 ' HA ' ' A' ' 37' ' ' ASN . 2.9 pt -132.39 118.48 35.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.999 -1.0 . . . . 0.98999999999999999 108.48 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 38' ' ' ILE . . . -105.87 140.01 39.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.978 0.362 . . . . 0.5 111.978 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -92.6 -31.63 15.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.77 -0.65 . . . . 0.93999999999999995 110.012 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 128.43 35.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.738 -0.664 . . . . 1.3100000000000001 110.481 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -60.47 -31.03 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 1.1200000000000001 111.235 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.62 -59.08 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.94999999999999996 110.675 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -36.7 84.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.5 111.003 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 43.8 tttm -59.92 -47.02 87.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 1.27 110.45 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 61.4 t60 -66.07 -31.02 71.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 1.21 111.252 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 mtp -65.06 -36.79 85.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.918 0.39 . . . . 1.51 110.124 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.6 mt -73.01 -20.46 61.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.705 -0.68 . . . . 0.57999999999999996 110.532 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 59.9 mt-10 -84.66 -40.93 16.83 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.53 . . . . 1.46 110.312 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.82 -43.81 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.502 -0.772 . . . . 2.3300000000000001 111.036 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -83.38 110.66 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.056 0.455 . . . . 1.6000000000000001 110.313 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.5 -29.68 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.544 . . . . 2.6600000000000001 111.27 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -68.95 -22.82 64.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.419 . . . . 1.46 110.821 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.46 -29.05 19.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.566 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -59.35 -18.78 41.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.098 -0.501 . . . . 2.4199999999999999 112.119 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.18 -51.68 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.609 0.242 . . . . 2.4399999999999999 111.091 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.8 m -87.27 -23.67 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.87 111.275 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -80.01 124.1 28.41 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.571 -0.529 . . . . 1.1399999999999999 109.571 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.2 pt? -112.6 -28.83 7.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.435 -0.348 . . . . 1.4199999999999999 110.605 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.36 -126.48 35.83 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.957 -0.639 . . . . 3.6400000000000001 112.027 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.7 127.41 53.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.702 0.287 . . . . 6.5 110.274 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.72 -26.21 54.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.433 0.635 . . . . 5.1500000000000004 109.52 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -145.21 139.13 26.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.213 -0.903 . . . . 5.8799999999999999 109.782 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -64.15 101.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.797 -0.446 . . . . 6.29 109.797 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -96.75 129.31 44.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.207 -0.452 . . . . 10.4 110.634 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -64.1 126.2 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.114 -0.494 . . . . 10.369999999999999 110.05 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -65.11 158.28 26.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.303 -0.408 . . . . 9.4900000000000002 110.515 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.656 -0.688 . . . . 12.66 109.916 179.698 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.564 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 tpt . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.919 -0.401 . . . . 6.9500000000000002 109.919 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 m 67.42 -79.43 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.632 -0.713 . . . . 6.4699999999999998 110.455 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 10.6 p30 -170.67 22.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.648 -0.501 . . . . 3.3500000000000001 109.648 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.5 mt -79.58 -6.83 57.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.639 -0.71 . . . . 2.4900000000000002 112.173 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.74 117.05 12.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.68 0.276 . . . . 2.9100000000000001 110.6 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 HD11 ' A' ' 15' ' ' ILE . 39.8 mt -60.81 115.88 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -91.47 140.41 29.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.127 -0.488 . . . . 2.23 110.279 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -90.87 142.09 28.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.529 . . . . 2.52 110.349 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.65 14.04 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.448 -0.661 . . . . 1.04 111.448 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.88 95.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.951 0.376 . . . . 3.1899999999999999 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.53 35.37 20.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.61 -0.723 . . . . 1.3799999999999999 110.581 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -159.94 170.89 20.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.582 . . . . 0.93999999999999995 111.586 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -135.11 138.99 44.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.395 -0.965 . . . . 0.68999999999999995 108.395 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -141.09 149.29 41.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.217 0.532 . . . . 1.1599999999999999 111.915 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.569 HD11 HG12 ' A' ' 6' ' ' ILE . 48.9 mt -128.49 128.38 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.241 -0.891 . . . . 0.92000000000000004 109.045 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' ASN . . . 160.9 -163.87 34.44 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.241 -0.98 . . . . 1.52 112.339 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.92 -45.64 85.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.815 0.341 . . . . 2.6200000000000001 111.709 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -161.1 174.13 14.15 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.681 -0.488 . . . . 1.6000000000000001 109.681 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.7 -33.52 75.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.196 -0.668 . . . . 2.7200000000000002 109.196 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.63 -11.8 55.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.668 -0.696 . . . . 2.9199999999999999 110.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -132.69 48.83 2.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.878 -0.601 . . . . 2.4500000000000002 109.958 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 130.96 37.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.146 0.498 . . . . 1.1899999999999999 111.916 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -81.67 -57.59 3.38 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.43 -0.952 . . . . 1.3899999999999999 108.43 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.56 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.135 -0.939 . . . . 0.77000000000000002 109.503 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -147.92 143.3 27.26 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.089 0.471 . . . . 1.3300000000000001 111.036 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.45 HG21 ' HB3' ' A' ' 56' ' ' LEU . 20.5 tt -137.75 129.84 40.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.579 -0.737 . . . . 0.40999999999999998 109.389 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 40' ' ' HIS . 76.4 p -119.11 135.53 54.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.862 0.363 . . . . 0.59999999999999998 110.875 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 22.6 p90 -131.82 110.2 10.66 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.349 -0.611 . . . . 0.76000000000000001 109.349 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 29' ' ' ARG . 6.0 mpt_? -103.99 145.59 29.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.867 -0.606 . . . . 3.6299999999999999 110.45 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -79.75 118.86 21.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.572 -0.74 . . . . 0.82999999999999996 110.936 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.462 HG21 HD11 ' A' ' 72' ' ' ILE . 6.8 m -93.64 -14.52 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.748 -0.834 . . . . 0.83999999999999997 108.748 177.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' A' ' 33' ' ' ASN . 14.0 t70 -152.9 -158.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.357 -1.292 . . . . 1.74 108.182 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 80.4 m-20 -87.3 -40.22 14.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.988 0.423 . . . . 2.7200000000000002 110.692 -179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -118.12 24.96 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.209 -0.45 . . . . 1.8400000000000001 110.789 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.04 127.42 32.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 2.25 110.373 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.5 pt -124.01 150.76 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.53000000000000003 110.976 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -125.4 135.64 52.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 1.8200000000000001 110.617 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 27' ' ' THR . 67.6 mt -99.58 100.43 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.879 -0.786 . . . . 0.68999999999999995 108.879 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 -23.5 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.638 0.607 . . . . 2.4700000000000002 112.638 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.62 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 6.8 m80 -127.24 134.02 50.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.256 0.551 . . . . 2.1200000000000001 112.174 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.43 85.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.115 -0.948 . . . . 0.72999999999999998 108.894 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.87 137.81 12.67 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.529 -0.843 . . . . 0.69999999999999996 112.403 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.695 ' HB ' H142 ' A' ' 103' ' ' ACO . 79.0 t -127.62 97.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.382 -0.599 . . . . 0.93000000000000005 109.382 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -92.33 142.55 27.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.864 -0.607 . . . . 1.8300000000000001 109.816 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -164.5 132.23 3.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.008 0.432 . . . . 3.1200000000000001 110.298 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -90.25 -11.06 42.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.523 -0.762 . . . . 3.7999999999999998 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -76.53 -59.64 2.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.557 -0.292 . . . . 4.4699999999999998 110.731 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.81 -4.99 0.03 OUTLIER Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.113 -1.042 . . . . 3.8599999999999999 113.615 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.26 115.23 2.13 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.621 -0.799 . . . . 3.0499999999999998 111.83 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -110.87 141.57 44.08 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.714 0.292 . . . . 3.4399999999999999 110.476 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.31 41.21 2.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.027 -0.606 . . . . 1.1100000000000001 112.495 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -76.92 -26.08 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.892 0.377 . . . . 1.1399999999999999 110.733 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.91 -27.56 71.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.886 -0.673 . . . . 0.58999999999999997 111.984 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -64.79 -37.19 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 2.02 110.716 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -74.13 -31.76 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 2.5699999999999998 110.684 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HB3' HG21 ' A' ' 26' ' ' ILE . 84.5 mt -69.13 -50.9 43.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.85999999999999999 110.883 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.67 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.29 110.894 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -58.55 -42.56 88.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 1.3899999999999999 110.99 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.83 95.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.56000000000000005 110.755 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.83 -45.56 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.53 . . . . 0.44 110.273 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.47 -45.29 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.53000000000000003 110.229 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.54 -45.45 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.618 -0.719 . . . . 1.76 110.947 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -64.51 -40.67 96.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.564 . . . . 1.04 110.331 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.14 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.84999999999999998 110.888 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -60.86 -40.06 91.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.901 0.382 . . . . 3.1200000000000001 110.861 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -69.01 -35.05 76.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.443 0.534 . . . . 1.8200000000000001 112.443 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -103.44 9.46 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.21 0.448 . . . . 1.3999999999999999 112.21 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 56.92 56.64 5.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.198 0.523 . . . . 2.1800000000000002 110.685 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.1 mt -112.53 148.09 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.651 -0.704 . . . . 0.78000000000000003 110.631 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HB3' HD11 ' A' ' 93' ' ' LEU . 4.8 mptp? -95.17 137.61 33.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.945 -0.761 . . . . 3.0499999999999998 108.945 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.91 123.56 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.702 0.63 . . . . 0.85999999999999999 112.702 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 31' ' ' VAL . 2.3 pt -124.45 96.13 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.43 -0.805 . . . . 0.98999999999999999 108.834 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.65 117.18 18.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.066 -0.515 . . . . 0.5 111.911 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -85.15 -20.43 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.93999999999999995 109.482 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 139.27 33.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.41 -0.814 . . . . 1.3100000000000001 109.47 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 m -61.15 -45.94 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.875 0.695 . . . . 1.1200000000000001 112.875 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.658 ' CD1' H132 ' A' ' 103' ' ' ACO . 76.4 t80 -60.3 -51.77 68.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.366 0.506 . . . . 0.94999999999999996 112.366 -178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.81 83.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.5 111.135 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.44 -35.67 81.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 1.27 110.788 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -59.5 -41.69 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.738 -0.665 . . . . 1.21 111.204 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.6 ttm -77.23 -36.83 54.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.435 -0.348 . . . . 1.51 111.102 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 88' ' ' TYR . 84.3 mt -59.71 -40.08 86.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.57999999999999996 111.311 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.54 -15.94 58.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 1.46 111.98 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -89.37 -50.39 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.865 0.364 . . . . 2.3300000000000001 111.065 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.31 120.69 19.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 1.6000000000000001 110.413 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -63.96 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 2.6600000000000001 111.151 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -34.04 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.089 0.471 . . . . 1.46 110.851 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HB3' HD23 ' A' ' 82' ' ' LEU . 9.7 m-30 -77.43 -21.78 52.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.616 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 36.0 mt-30 -70.52 -5.83 31.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 2.4199999999999999 111.305 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.88 -45.97 47.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.966 -0.561 . . . . 2.4399999999999999 110.45 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.71 -7.19 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.093 0.473 . . . . 0.87 110.954 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.469 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 72.0 t80 -89.07 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 1.1399999999999999 109.931 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 70' ' ' LYS . 5.8 mp -91.88 -56.81 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.398 -0.365 . . . . 1.4199999999999999 111.529 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 92' ' ' TYR . . . 140.88 108.16 0.72 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.545 -0.836 . . . . 3.6400000000000001 112.248 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.85 5.44 16.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.003 0.43 . . . . 6.5 110.985 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.56 -79.34 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.412 -0.358 . . . . 5.1500000000000004 110.419 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -146.04 89.23 1.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.017 0.377 . . . . 5.8799999999999999 112.017 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -87.28 -13.9 42.41 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.877 -0.786 . . . . 6.29 108.877 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -164.66 154.86 14.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.994 -1.003 . . . . 10.4 109.398 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -75.31 -61.42 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.799 -0.445 . . . . 10.369999999999999 109.799 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -161.3 -44.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.832 -0.622 . . . . 9.4900000000000002 109.954 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.466 -0.778 . . . . 12.66 109.786 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.695 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 109.994 -0.373 . . . . 6.9500000000000002 109.994 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 m -76.72 88.79 3.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.965 0.412 . . . . 6.4699999999999998 110.18 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -149.91 162.33 40.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.888 -0.596 . . . . 3.3500000000000001 110.195 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.36 -104.28 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.865 -0.42 . . . . 2.4900000000000002 109.865 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 67.95 141.41 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.405 0.621 . . . . 2.9100000000000001 111.845 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 mt -78.32 95.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.059 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -88.84 121.89 31.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 2.23 109.453 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -98.18 159.41 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.381 -0.372 . . . . 2.52 110.622 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.55 150.37 5.64 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.78 -0.724 . . . . 1.04 112.416 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 42.48 43.79 3.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.226 1.011 . . . . 3.1899999999999999 113.259 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 61.6 m-20 58.4 41.07 23.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.071 0.462 . . . . 1.3799999999999999 110.815 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -150.99 138.67 19.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.111 -0.495 . . . . 0.93999999999999995 111.33 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -106.82 111.96 24.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.482 -0.933 . . . . 0.68999999999999995 108.482 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.468 0.651 . . . . 1.1599999999999999 111.366 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mt -107.33 121.72 60.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.418 -0.81 . . . . 0.92000000000000004 109.7 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.79 175.39 37.56 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.843 -0.617 . . . . 1.52 111.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.19 -28.52 29.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.1 0.476 . . . . 2.6200000000000001 110.934 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -143.34 158.39 43.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.036 -0.529 . . . . 1.6000000000000001 109.858 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -61.35 -32.88 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.747 -0.206 . . . . 2.7200000000000002 111.337 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -91.82 10.42 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.207 0.527 . . . . 2.9199999999999999 110.489 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -136.45 36.68 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 2.4500000000000002 109.613 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.74 128.17 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.765 -0.652 . . . . 1.1899999999999999 110.667 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -85.56 -22.67 27.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.246 0.546 . . . . 1.3899999999999999 109.801 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.72 136.09 11.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.77000000000000002 110.528 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.85 139.68 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.352 0.596 . . . . 1.3300000000000001 111.743 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 tt -125.48 131.07 72.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.92 -0.77 . . . . 0.40999999999999998 108.92 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -110.12 133.96 52.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.168 0.509 . . . . 0.59999999999999998 111.553 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 24.2 p90 -138.98 126.58 21.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.573 -0.74 . . . . 0.76000000000000001 109.478 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -114.0 143.87 44.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.012 0.434 . . . . 3.6299999999999999 111.868 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -85.19 94.33 8.87 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.243 -1.021 . . . . 0.82999999999999996 108.243 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.9 m -86.2 -20.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 0.83999999999999997 112.357 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -149.57 33.03 0.7 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.74 110.851 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 67.35 -72.65 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.68 -0.691 . . . . 2.7200000000000002 111.444 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.65 23.15 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 1.8400000000000001 110.783 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.81 115.38 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 2.25 109.602 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pt -106.92 122.48 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.171 0.51 . . . . 0.53000000000000003 110.909 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.59 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.5 t-20 -100.32 117.32 34.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.348 -0.842 . . . . 1.8200000000000001 110.367 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -86.03 117.17 30.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.619 . . . . 0.68999999999999995 109.642 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.04 -60.49 2.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 2.4700000000000002 111.271 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -145.15 165.76 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 2.1200000000000001 111.955 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -137.51 88.83 2.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.162 -0.926 . . . . 0.72999999999999998 109.032 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.57 102.63 2.86 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.683 -0.77 . . . . 0.69999999999999996 112.186 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.501 HG21 ' HA2' ' A' ' 53' ' ' GLY . 42.4 t -122.25 131.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 110.313 -0.254 . . . . 0.93000000000000005 110.313 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.1 t -74.92 126.54 31.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.424 0.631 . . . . 1.8300000000000001 109.961 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -159.74 109.91 1.89 Allowed 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.955 -1.021 . . . . 3.1200000000000001 109.844 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -109.22 4.78 23.19 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.818 -0.628 . . . . 3.7999999999999998 110.545 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.3 mt -110.08 -34.67 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.078 -0.51 . . . . 4.4699999999999998 110.936 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.65 57.19 1.36 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.785 -0.721 . . . . 3.8599999999999999 111.73 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.47 24.1 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.371 -0.918 . . . . 3.0499999999999998 113.131 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.27 115.73 12.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.065 0.433 . . . . 3.4399999999999999 109.998 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.43 -13.49 62.93 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.741 -0.663 . . . . 1.1100000000000001 112.7 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.78 -43.58 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 122.472 0.309 . . . . 1.1399999999999999 111.136 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 43' ' ' VAL . . . -65.3 -41.63 96.57 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.826 -0.702 . . . . 0.58999999999999997 112.421 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -68.55 -38.66 80.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.345 0.593 . . . . 2.02 109.916 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.109 -0.95 . . . . 2.5699999999999998 111.244 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.1 mt -61.62 -47.9 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.85999999999999999 110.878 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.06 -38.38 90.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 1.29 110.703 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -44.92 86.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.772 -0.649 . . . . 1.3899999999999999 110.515 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.84 78.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.56000000000000005 111.076 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 56' ' ' LEU . 50.2 t -69.25 -50.86 48.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.44 110.314 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 88' ' ' TYR . 94.1 t -57.76 -42.15 81.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.991 -0.549 . . . . 0.53000000000000003 111.002 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 5.3 mt-10 -57.67 -55.42 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.76 110.876 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.97 -35.47 80.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 1.04 110.433 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.11 -52.08 66.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.84999999999999998 110.734 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.67 -32.01 72.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 3.1200000000000001 111.083 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 54.7 mt-10 -68.5 -27.43 66.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 1.8200000000000001 111.292 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -111.37 11.97 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.164 -0.471 . . . . 1.3999999999999999 111.662 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 57.82 31.64 20.79 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.676 0.75 . . . . 2.1800000000000002 110.754 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 64' ' ' ALA . 39.0 mt -81.57 128.6 34.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.78000000000000003 110.367 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.747 ' HB3' HD22 ' A' ' 93' ' ' LEU . 28.3 mtmt -82.86 139.78 33.27 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.57 -0.9 . . . . 3.0499999999999998 108.57 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -108.64 127.66 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 112.958 0.725 . . . . 0.85999999999999999 112.958 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -130.68 105.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.718 -1.128 . . . . 0.98999999999999999 108.881 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.72 135.04 37.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.909 0.385 . . . . 0.5 111.559 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.8 m -87.7 -22.77 24.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.554 . . . . 0.93999999999999995 109.833 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 132.94 36.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.3100000000000001 110.672 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -43.2 94.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.106 -0.497 . . . . 1.1200000000000001 111.332 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.18 -53.8 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 0.94999999999999996 111.098 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.95 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.5 111.106 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -62.25 -39.93 94.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.528 . . . . 1.27 110.411 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 80.8 t60 -65.15 -38.22 89.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 1.21 110.719 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.8 mmm -64.5 -38.74 92.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.231 0.538 . . . . 1.51 110.086 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.1 mt -68.91 -37.0 78.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.352 -0.84 . . . . 0.57999999999999996 111.402 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 10.1 pt-20 -78.55 -17.45 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.802 0.334 . . . . 1.46 110.765 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -79.99 -55.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 2.3300000000000001 110.775 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 85' ' ' GLU . 1.2 tp10 -75.64 130.15 38.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.352 -0.385 . . . . 1.6000000000000001 111.021 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.5 -41.48 96.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 2.6600000000000001 110.717 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -30.02 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 1.46 110.905 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.405 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.5 m-30 -77.17 -34.91 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.237 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -64.64 -16.28 62.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.124 -0.489 . . . . 2.4199999999999999 111.677 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.24 -47.99 74.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.361 . . . . 2.4399999999999999 110.234 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.77 -25.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.154 -0.475 . . . . 0.87 111.315 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -77.27 118.08 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.798 -0.445 . . . . 1.1399999999999999 109.798 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.773 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? -107.97 -34.59 6.86 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.094 -0.503 . . . . 1.4199999999999999 110.551 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.56 -106.18 1.95 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.702 -0.761 . . . . 3.6400000000000001 111.74 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mp -118.44 138.4 52.49 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.9 -0.407 . . . . 6.5 109.9 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -86.96 -16.21 36.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.275 0.56 . . . . 5.1500000000000004 110.077 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -155.56 146.65 22.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.552 -0.749 . . . . 5.8799999999999999 109.831 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.91 120.91 11.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.036 -0.357 . . . . 6.29 110.036 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -127.44 127.63 44.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.26 -0.427 . . . . 10.4 110.515 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -71.93 135.96 46.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.138 -0.483 . . . . 10.369999999999999 110.359 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -65.03 158.98 24.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 9.4900000000000002 110.911 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.649 -0.691 . . . . 12.66 110.386 -179.782 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.543 HH33 ' O5P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.038 -0.356 . . . . 6.9500000000000002 110.038 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 p -152.11 -68.98 0.16 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.264 -0.425 . . . . 6.4699999999999998 110.047 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -157.25 148.33 21.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.523 -0.762 . . . . 3.3500000000000001 109.166 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.36 56.88 2.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.335 0.588 . . . . 2.4900000000000002 110.893 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 -87.69 141.52 28.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.41 -0.814 . . . . 2.9100000000000001 109.887 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' A' ' 55' ' ' LYS . 45.7 mt -73.92 95.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.995 0.426 . . . . 1.0 111.119 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -82.58 124.07 29.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.397 -0.594 . . . . 2.23 109.397 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -101.66 128.42 47.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.203 0.525 . . . . 2.52 110.647 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.94 -159.83 11.18 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.206 -0.906 . . . . 1.04 111.278 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.28 92.64 0.02 OUTLIER 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.773 0.429 . . . . 3.1899999999999999 111.318 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 52.29 46.55 26.45 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.747 -0.66 . . . . 1.3799999999999999 110.964 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -165.29 158.19 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.93999999999999995 111.343 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -123.57 134.17 53.86 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.576 -0.898 . . . . 0.68999999999999995 108.576 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -144.11 146.47 32.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.049 0.452 . . . . 1.1599999999999999 111.295 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.632 HG13 HD21 ' A' ' 56' ' ' LEU . 86.4 mt -130.57 125.99 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.79 -0.641 . . . . 0.92000000000000004 109.597 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.43 -173.42 46.23 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.421 -0.895 . . . . 1.52 112.283 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -77.57 -34.69 53.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.343 0.592 . . . . 2.6200000000000001 110.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -148.11 168.95 21.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.293 -0.867 . . . . 1.6000000000000001 109.283 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.8 -40.28 79.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.997 0.427 . . . . 2.7200000000000002 110.091 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -85.77 -24.27 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 2.9199999999999999 110.07 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -95.73 40.31 1.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 2.4500000000000002 109.886 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 124.42 27.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.747 -0.66 . . . . 1.1899999999999999 110.388 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.27 -24.13 43.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.626 0.727 . . . . 1.3899999999999999 109.451 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.18 133.71 7.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.726 -1.125 . . . . 0.77000000000000002 109.376 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -145.21 132.89 20.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.957 0.408 . . . . 1.3300000000000001 111.229 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.58 127.45 70.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.793 -0.639 . . . . 0.40999999999999998 109.533 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 p -115.58 148.07 40.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.602 -0.272 . . . . 0.59999999999999998 111.213 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 37.3 p90 -142.84 161.6 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.602 -0.518 . . . . 0.76000000000000001 109.602 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.89 157.04 43.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.718 0.294 . . . . 3.6299999999999999 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -88.44 120.37 29.75 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.52 -0.548 . . . . 0.82999999999999996 109.52 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.4 m -90.23 -37.99 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.83999999999999997 111.647 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -132.0 -81.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.926 -0.31 . . . . 1.74 111.483 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.21 -78.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.013 0.375 . . . . 2.7200000000000002 112.013 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 89.8 m-20 -105.85 3.15 28.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.03 0.443 . . . . 1.8400000000000001 110.787 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -86.39 118.45 25.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.907 -0.588 . . . . 2.25 110.666 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -108.03 123.11 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.113 -0.494 . . . . 0.53000000000000003 110.503 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.7 t30 -98.05 127.45 44.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.84 -0.618 . . . . 1.8200000000000001 112.016 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.76 106.26 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 107.796 -1.187 . . . . 0.68999999999999995 107.796 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 0.3 OUTLIER -104.64 -34.54 8.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.632 0.604 . . . . 2.4700000000000002 112.632 -177.608 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -115.11 135.25 54.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.381 0.61 . . . . 2.1200000000000001 111.939 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -150.34 111.06 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.126 -0.943 . . . . 0.72999999999999998 109.208 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.05 127.3 6.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.67 -0.776 . . . . 0.69999999999999996 112.22 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.553 ' HB ' H142 ' A' ' 103' ' ' ACO . 45.7 t -135.87 134.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.012 -0.366 . . . . 0.93000000000000005 110.012 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -76.44 103.39 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.548 . . . . 1.8300000000000001 109.781 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.49 -28.69 33.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.716 -0.675 . . . . 3.1200000000000001 111.374 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -42.76 59.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.126 0.489 . . . . 3.7999999999999998 110.024 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -38.95 90.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.628 -0.714 . . . . 4.4699999999999998 110.257 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.96 46.75 0.81 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.563 -0.827 . . . . 3.8599999999999999 112.607 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.8 47.37 3.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.055 -0.593 . . . . 3.0499999999999998 112.093 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -79.4 134.47 36.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.873 0.368 . . . . 3.4399999999999999 110.061 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.13 -30.67 5.04 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.921 -0.581 . . . . 1.1100000000000001 112.034 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 t -62.26 -50.75 78.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 1.1399999999999999 110.603 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -33.52 86.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.906 -0.664 . . . . 0.58999999999999997 112.191 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -70.67 -40.57 72.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 2.02 110.124 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.7 ttpt -67.18 -34.94 78.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 2.5699999999999998 109.788 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.632 HD21 HG13 ' A' ' 15' ' ' ILE . 28.6 mt -64.82 -47.86 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 0.85999999999999999 109.828 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.21 -34.04 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 1.29 110.008 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.16 -42.74 95.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 1.3899999999999999 109.849 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.5 92.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.56000000000000005 110.101 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.51 -48.05 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.94 -0.573 . . . . 0.44 109.782 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.39 -41.22 91.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 115.852 -0.613 . . . . 0.53000000000000003 110.612 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 1.9 tp10 -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.049 -0.523 . . . . 1.76 110.167 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -64.39 -30.33 71.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.836 -0.62 . . . . 1.04 111.179 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.78 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.84999999999999998 110.286 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.51 -34.44 77.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 3.1200000000000001 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.5 mt-10 -66.79 -30.64 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 1.8200000000000001 111.796 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -110.85 8.27 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.079 0.399 . . . . 1.3999999999999999 112.079 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.9 t30 57.32 39.16 28.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.659 0.742 . . . . 2.1800000000000002 110.359 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 77.4 mt -86.76 152.89 22.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.476 -0.783 . . . . 0.78000000000000003 110.877 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.6 mptt -108.69 121.95 46.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.854 -0.795 . . . . 3.0499999999999998 108.854 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mt -87.33 127.2 40.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.352 0.596 . . . . 0.85999999999999999 112.055 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.6 pt -133.29 91.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.961 -1.018 . . . . 0.98999999999999999 108.707 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.25 122.77 32.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.574 0.583 . . . . 0.5 112.574 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 m -92.04 -23.68 19.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.93999999999999995 108.818 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.46 ' SG ' HH31 ' A' ' 103' ' ' ACO . 7.1 t -63.87 124.98 22.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.265 -0.88 . . . . 1.3100000000000001 109.194 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -44.53 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.376 0.51 . . . . 1.1200000000000001 112.376 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.84 -51.52 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.94999999999999996 111.146 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.2 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.5 110.939 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.36 -46.27 89.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 1.27 110.414 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.27 -42.88 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 1.21 111.591 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.8 ttp -74.72 -37.85 62.45 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.736 -0.386 . . . . 1.51 111.239 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -41.08 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.419 -0.355 . . . . 0.57999999999999996 111.199 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -76.74 -26.93 55.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.726 -0.472 . . . . 1.46 109.726 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -70.03 -45.86 66.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 2.3300000000000001 110.106 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.03 98.42 11.26 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.632 -0.713 . . . . 1.6000000000000001 110.237 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.45 -28.27 65.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.143 0.497 . . . . 2.6600000000000001 110.664 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -27.3 68.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.598 -0.728 . . . . 1.46 111.958 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -92.04 -2.73 56.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.68 0.276 . . . . 1.0 111.435 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -80.22 7.05 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.234 0.457 . . . . 2.4199999999999999 112.234 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.62 -25.12 38.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.203 -0.666 . . . . 2.4399999999999999 109.203 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 m -119.35 -22.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.87 110.079 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -89.16 131.27 35.37 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.002 -0.74 . . . . 1.1399999999999999 109.002 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt -75.75 57.05 0.98 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.931 0.345 . . . . 1.4199999999999999 111.931 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.83 -28.61 28.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.927 -0.654 . . . . 3.6400000000000001 111.646 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -82.96 79.39 9.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.085 0.469 . . . . 6.5 110.249 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -59.52 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.195 -0.457 . . . . 5.1500000000000004 111.339 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -171.38 -35.22 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.543 0.571 . . . . 5.8799999999999999 112.543 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -90.79 -40.95 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.472 -0.491 . . . . 6.29 111.839 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.9 m80 59.3 179.12 0.08 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.158 0.429 . . . . 10.4 112.158 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.43 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 5.0 t60 53.44 -94.47 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.623 -0.717 . . . . 10.369999999999999 112.106 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.43 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 22.4 t-80 -147.62 -47.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.199 -0.297 . . . . 9.4900000000000002 110.199 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.332 -0.842 . . . . 12.66 110.243 179.704 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.586 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.505 0.193 . . . . 6.9500000000000002 110.83 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m -83.1 77.97 9.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.013 0.435 . . . . 6.4699999999999998 110.183 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -124.57 178.88 5.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.913 -0.585 . . . . 3.3500000000000001 109.794 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.25 36.61 20.78 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.367 0.603 . . . . 2.4900000000000002 110.358 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -90.07 163.92 14.69 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.314 -0.857 . . . . 2.9100000000000001 109.945 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -68.42 102.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -86.42 132.45 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.512 -0.551 . . . . 2.23 109.512 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -87.43 137.02 32.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.095 0.474 . . . . 2.52 110.745 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.38 -167.21 12.17 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.205 -0.758 . . . . 1.04 111.205 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.56 97.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.832 0.316 . . . . 3.1899999999999999 111.154 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.49 36.11 27.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.663 -0.698 . . . . 1.3799999999999999 110.905 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 51.1 pttt -163.1 173.0 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.93999999999999995 111.753 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -128.92 138.41 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.403 -0.962 . . . . 0.68999999999999995 108.403 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -152.23 154.97 36.84 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.664 -0.415 . . . . 1.1599999999999999 111.442 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.6 mt -127.15 136.64 60.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 0.92000000000000004 109.386 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.58 169.2 12.56 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.033 -0.603 . . . . 1.52 111.619 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.06 -59.81 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.32 . . . . 2.6200000000000001 110.983 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.59 162.78 25.67 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.364 -0.606 . . . . 1.6000000000000001 109.364 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -60.8 -39.85 90.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.554 0.216 . . . . 2.7200000000000002 111.442 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.01 -32.03 73.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.117 0.484 . . . . 2.9199999999999999 111.168 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -111.34 27.26 9.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 2.4500000000000002 110.64 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.03 129.85 41.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.561 . . . . 1.1899999999999999 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.41 -42.07 98.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.433 -0.58 . . . . 1.3899999999999999 109.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -159.01 145.71 17.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.77000000000000002 110.666 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -146.17 146.21 30.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.015 0.436 . . . . 1.3300000000000001 110.473 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 16.7 tt -133.63 133.18 57.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.40999999999999998 109.386 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 p -111.19 140.88 45.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.646 0.26 . . . . 0.59999999999999998 111.253 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.2 p90 -136.41 150.56 48.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.76000000000000001 110.437 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -142.12 160.95 39.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 3.6299999999999999 110.488 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -91.26 109.37 20.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.82999999999999996 109.873 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 35' ' ' GLU . 6.6 m -76.67 -25.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.83999999999999997 110.459 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.32 -79.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.928 -0.578 . . . . 1.74 110.078 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -158.93 -56.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 2.7200000000000002 110.484 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -99.73 19.04 16.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.8400000000000001 109.923 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 31' ' ' VAL . 1.7 mt-10 -131.98 126.41 33.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.887 -0.597 . . . . 2.25 110.409 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 pt -120.22 133.53 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.948 0.404 . . . . 0.53000000000000003 110.464 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.6 p-10 -108.09 144.13 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.979 -0.555 . . . . 1.8200000000000001 110.957 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -91.44 101.21 12.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.912 -0.773 . . . . 0.68999999999999995 108.912 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -55.48 -63.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 2.4700000000000002 111.462 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -145.06 164.18 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.076 0.465 . . . . 2.1200000000000001 111.156 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -142.33 117.99 10.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.532 -0.758 . . . . 0.72999999999999998 109.287 179.289 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.47 135.33 8.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.527 -0.844 . . . . 0.69999999999999996 112.503 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.754 ' HB ' H142 ' A' ' 103' ' ' ACO . 38.4 t -132.66 142.85 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.93000000000000005 109.443 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -83.48 131.02 35.04 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.068 -0.345 . . . . 1.8300000000000001 110.068 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.3 -12.59 59.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.339 -0.391 . . . . 3.1200000000000001 110.922 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -77.25 62.79 2.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.056 -0.52 . . . . 3.7999999999999998 111.405 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 mp 55.24 42.14 30.72 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.905 -0.589 . . . . 4.4699999999999998 111.79 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.38 26.04 3.75 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.615 -0.803 . . . . 3.8599999999999999 112.177 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -128.42 11.39 6.41 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.582 -0.818 . . . . 3.0499999999999998 112.726 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.2 83.84 2.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 3.4399999999999999 110.805 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' HA2' ' HE3' ' A' ' 54' ' ' LYS . . . 77.93 -7.57 42.22 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.962 -0.563 . . . . 1.1100000000000001 113.531 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 t -61.15 -52.24 63.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 1.1399999999999999 111.042 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.11 -29.61 74.94 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.871 -0.68 . . . . 0.58999999999999997 112.459 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 21.4 mtmt -73.54 -29.79 62.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 2.02 110.52 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -67.71 -37.1 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 2.5699999999999998 109.814 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.91 -48.46 76.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.597 -0.728 . . . . 0.85999999999999999 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.02 -35.87 76.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.649 -0.705 . . . . 1.29 110.808 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.15 -47.31 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 1.3899999999999999 110.477 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.7 94.14 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.564 . . . . 0.56000000000000005 111.271 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.08 -52.09 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.561 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 88' ' ' TYR . 71.7 t -62.92 -38.09 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.53000000000000003 110.713 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 16.3 mt-10 -59.14 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.445 -0.343 . . . . 1.76 110.368 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.563 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.7 t60 -63.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.452 . . . . 1.04 110.256 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.62 -29.3 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.84999999999999998 110.122 178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -75.51 -35.33 60.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 3.1200000000000001 109.915 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.563 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 45.0 mt-10 -72.41 -48.68 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.344 -0.844 . . . . 1.8200000000000001 111.609 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.423 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 11.0 m120 -92.33 -1.38 57.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.148 0.425 . . . . 1.3999999999999999 112.148 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 60.98 38.01 17.73 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.953 0.406 . . . . 2.1800000000000002 111.074 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -82.6 161.27 22.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.887 -0.597 . . . . 0.78000000000000003 111.887 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -96.92 139.33 33.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.442 -0.799 . . . . 3.0499999999999998 108.85 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 35.9 mm -106.25 122.22 59.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.098 0.475 . . . . 0.85999999999999999 111.589 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -132.99 137.14 54.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.542 -0.91 . . . . 0.98999999999999999 108.542 177.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.11 132.07 55.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 0.5 112.507 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -102.08 -0.11 34.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.592 -0.731 . . . . 0.93999999999999995 109.339 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 7.5 t -111.03 137.2 48.95 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.284 -0.871 . . . . 1.3100000000000001 110.301 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.1 m -59.38 -44.71 92.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 1.1200000000000001 112.227 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.485 ' CE1' H143 ' A' ' 103' ' ' ACO . 87.3 t80 -60.64 -53.87 52.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 0.94999999999999996 111.363 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB2' ' OG1' ' A' ' 41' ' ' THR . . . -58.57 -41.09 84.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.5 111.057 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -60.45 -46.45 90.0 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.094 -0.336 . . . . 1.27 110.094 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.65 -41.68 91.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 1.21 110.475 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.1 mmm -65.57 -43.78 88.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.967 -0.561 . . . . 1.51 111.004 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 92' ' ' TYR . 49.3 mt -68.5 -31.84 71.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.57999999999999996 110.932 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -77.58 -25.58 50.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 1.46 109.816 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -75.58 -52.72 9.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 2.3300000000000001 110.696 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 108.33 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.222 -0.445 . . . . 1.6000000000000001 110.649 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.86 -26.82 68.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.956 -0.565 . . . . 2.6600000000000001 111.042 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -38.4 86.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 1.46 110.421 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 61' ' ' VAL . 13.9 m-30 -80.55 -29.14 37.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.444 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -68.41 -9.54 49.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.371 -0.831 . . . . 2.4199999999999999 111.4 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.54 -40.15 88.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.291 0.567 . . . . 2.4399999999999999 109.685 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m -103.87 -18.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.87 110.911 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.505 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.1 t80 -86.13 133.0 33.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 1.1399999999999999 109.998 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.82 79.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.116 -0.493 . . . . 1.4199999999999999 110.743 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -87.17 3.95 86.5 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.761 -0.654 . . . . 3.6400000000000001 112.942 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.431 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.4 pt? -68.99 -22.92 64.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.17 0.51 . . . . 6.5 110.126 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -101.23 101.93 12.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.809 -0.632 . . . . 5.1500000000000004 109.998 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -154.14 36.75 0.43 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.465 -0.789 . . . . 5.8799999999999999 109.619 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -65.94 130.57 43.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.641 -0.709 . . . . 6.29 110.862 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.9 t60 58.43 56.32 4.44 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.939 0.775 . . . . 10.4 110.777 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -90.4 96.78 10.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.543 -0.753 . . . . 10.369999999999999 109.865 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -139.26 113.34 8.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.343 -0.389 . . . . 9.4900000000000002 110.489 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.703 -0.665 . . . . 12.66 109.725 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.754 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 121.108 0.48 . . . . 6.9500000000000002 110.601 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.09 -77.48 0.48 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.01 -0.541 . . . . 6.4699999999999998 110.378 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.414 ' OD1' ' HG2' ' A' ' 5' ' ' GLU . 28.6 t-20 -154.96 158.84 39.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.884 -0.598 . . . . 3.3500000000000001 109.689 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.4 mt -80.61 56.27 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.113 0.482 . . . . 2.4900000000000002 110.353 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG2' ' OD1' ' A' ' 3' ' ' ASN . 10.6 mm-40 -91.88 138.4 31.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.868 -0.605 . . . . 2.9100000000000001 111.409 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -82.78 86.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 1.0 109.764 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 7.1 mmmm -71.94 130.27 40.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.709 -0.678 . . . . 2.23 110.254 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -106.73 128.28 54.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.297 0.57 . . . . 2.52 110.502 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.83 -151.18 8.75 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.449 -0.796 . . . . 1.04 111.631 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.7 87.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.585 0.354 . . . . 3.1899999999999999 110.641 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.417 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.4 m-80 51.2 44.0 28.95 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.681 -0.691 . . . . 1.3799999999999999 110.532 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -153.82 158.69 41.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.655 -0.702 . . . . 0.93999999999999995 111.054 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.57 133.23 53.35 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.391 -0.966 . . . . 0.68999999999999995 108.391 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 14.7 p90 -147.58 148.43 31.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.323 0.582 . . . . 1.1599999999999999 111.556 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -126.28 121.3 58.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.442 -0.799 . . . . 0.92000000000000004 109.169 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.93 175.37 45.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.288 -0.958 . . . . 1.52 112.301 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.81 -42.73 69.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.421 0.629 . . . . 2.6200000000000001 110.634 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 21' ' ' ASN . 24.0 t70 -136.93 165.52 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.116 -0.947 . . . . 1.6000000000000001 109.595 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.31 -41.77 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.404 . . . . 2.7200000000000002 110.999 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -82.14 -19.11 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.422 0.629 . . . . 2.9199999999999999 110.14 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' HB2' ' H ' ' A' ' 18' ' ' ASP . 6.1 m-20 -100.23 41.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.577 -0.738 . . . . 2.4500000000000002 110.118 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.12 110.82 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 1.1899999999999999 110.757 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.5 mt -72.69 -26.47 61.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.11 -0.495 . . . . 1.3899999999999999 110.175 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -148.96 130.74 15.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.699 -0.682 . . . . 0.77000000000000002 109.773 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.73 142.91 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.005 0.431 . . . . 1.3300000000000001 111.207 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -139.87 135.93 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.665 -0.698 . . . . 0.40999999999999998 109.122 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 145.13 48.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.83 0.348 . . . . 0.59999999999999998 111.656 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -140.49 161.79 36.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.813 -0.631 . . . . 0.76000000000000001 109.344 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -151.93 152.69 32.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.669 0.271 . . . . 3.6299999999999999 110.393 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -87.42 113.48 23.16 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.407 -0.59 . . . . 0.82999999999999996 109.407 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.21 -27.01 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.83999999999999997 111.969 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -142.79 -76.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.572 -0.451 . . . . 1.74 111.589 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -134.38 -60.19 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.571 0.582 . . . . 2.7200000000000002 112.571 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -117.81 -2.18 11.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 1.8400000000000001 111.401 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -86.84 114.82 23.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.28 -0.418 . . . . 2.25 111.4 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 pt -103.2 120.4 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.87 -0.605 . . . . 0.53000000000000003 109.861 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.2 t30 -103.67 120.02 40.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.8200000000000001 111.729 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -82.11 114.04 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.647 -0.871 . . . . 0.68999999999999995 108.647 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 30.1 t70 -100.58 -54.18 2.9 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.264 0.838 . . . . 2.4700000000000002 113.264 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -111.79 141.37 45.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.507 0.67 . . . . 2.1200000000000001 112.06 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.61 143.09 31.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.983 -1.008 . . . . 0.72999999999999998 108.503 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.89 114.07 0.59 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 119.338 -1.41 . . . . 0.69999999999999996 113.822 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' H ' ' C9P' ' A' ' 103' ' ' ACO . 8.5 t -123.37 144.61 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.29 -1.004 . . . . 0.93000000000000005 108.29 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -71.83 114.77 10.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.329 0.585 . . . . 1.8300000000000001 110.893 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -81.16 -14.71 57.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.573 -0.74 . . . . 3.1200000000000001 109.768 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.51 -25.37 45.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.713 0.768 . . . . 3.7999999999999998 108.939 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 tt -88.83 -35.82 16.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.963 -1.017 . . . . 4.4699999999999998 109.314 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.15 48.68 2.38 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.664 -0.698 . . . . 3.8599999999999999 111.704 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.32 71.22 2.29 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.993 -0.622 . . . . 3.0499999999999998 112.043 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.16 -58.85 2.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.797 0.332 . . . . 3.4399999999999999 110.159 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.55 -31.23 51.23 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.971 -0.633 . . . . 1.1100000000000001 111.862 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 t -57.83 -44.82 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 1.1399999999999999 110.809 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.3 -33.32 86.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.93 -0.652 . . . . 0.58999999999999997 112.153 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -74.05 -35.28 64.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.685 0.278 . . . . 2.02 110.418 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -58.71 -50.27 74.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.192 -0.458 . . . . 2.5699999999999998 111.688 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -66.05 -43.92 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.143 -0.223 . . . . 0.85999999999999999 111.577 -179.349 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.95 -40.07 95.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.103 0.478 . . . . 1.29 110.196 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.536 ' HG2' ' OE2' ' A' ' 62' ' ' GLU . 26.9 ttpp -58.61 -41.55 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 1.3899999999999999 110.401 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.98 77.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.845 -0.616 . . . . 0.56000000000000005 110.942 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -67.77 -43.31 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.579 -0.526 . . . . 0.44 109.579 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.5 t -64.24 -42.46 95.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.514 -0.766 . . . . 0.53000000000000003 110.554 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.536 ' OE2' ' HG2' ' A' ' 58' ' ' LYS . 52.1 mt-10 -64.98 -47.01 79.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.564 -0.744 . . . . 1.76 111.266 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -66.13 -31.67 72.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.155 -0.475 . . . . 1.04 110.447 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -60.83 -46.85 88.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.84999999999999998 110.442 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.1 -33.85 76.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 3.1200000000000001 110.772 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.74 -38.94 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 1.8200000000000001 111.378 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.55 12.33 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.104 0.409 . . . . 1.3999999999999999 112.104 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 56.81 38.18 29.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.501 0.667 . . . . 2.1800000000000002 110.693 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 64' ' ' ALA . 52.6 mt -81.72 161.65 23.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.568 -0.742 . . . . 0.78000000000000003 111.03 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.1 mptt -110.08 130.21 55.57 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.589 -0.893 . . . . 3.0499999999999998 108.589 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 61' ' ' VAL . 54.8 mt -100.71 127.46 53.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.732 0.777 . . . . 0.85999999999999999 112.622 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -135.18 158.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.395 -1.275 . . . . 0.98999999999999999 107.628 177.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.77 136.29 20.42 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.961 -0.696 . . . . 0.5 112.478 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 p -98.32 -22.14 16.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.749 -0.834 . . . . 0.93999999999999995 108.749 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 7.5 t -71.4 130.6 41.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.964 -1.016 . . . . 1.3100000000000001 110.029 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -46.12 91.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 1.1200000000000001 111.386 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.594 ' CZ ' H143 ' A' ' 103' ' ' ACO . 87.4 t80 -63.57 -49.77 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.94999999999999996 110.872 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -45.88 93.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.5 111.009 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -64.37 -41.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 1.27 110.269 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -58.66 -40.54 83.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.409 -0.36 . . . . 1.21 110.504 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mtp -64.48 -41.41 96.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 1.51 110.198 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.4 -38.2 74.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.57999999999999996 110.77 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.33 -39.62 81.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 1.46 110.997 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -72.69 -36.02 67.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 2.3300000000000001 110.684 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.01 84.65 6.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.322 -0.622 . . . . 1.6000000000000001 109.322 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.84 -25.07 62.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.171 -0.468 . . . . 2.6600000000000001 111.526 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -9.94 59.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.034 -0.53 . . . . 1.46 111.163 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -96.17 -2.72 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.089 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' OE1' ' HA3' ' A' ' 94' ' ' GLY . 11.0 mt-30 -75.9 6.37 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.452 . . . . 2.4199999999999999 110.975 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -26.53 58.06 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.344 -0.613 . . . . 2.4399999999999999 109.344 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.87 -22.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.651 -0.704 . . . . 0.87 110.691 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -86.45 132.52 33.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.1399999999999999 110.256 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.8 mt -79.59 73.83 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 1.4199999999999999 111.383 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.411 ' HA3' ' OE1' ' A' ' 89' ' ' GLN . . . -109.7 -15.46 12.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 3.6400000000000001 111.434 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.61 76.47 2.0 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.482 -0.562 . . . . 6.5 109.482 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -84.89 -58.05 2.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.519 -0.764 . . . . 5.1500000000000004 111.72 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.47 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 12.2 p80 -174.55 -37.01 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.116 0.413 . . . . 5.8799999999999999 112.116 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -89.22 -35.74 16.03 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.176 -0.61 . . . . 6.29 111.205 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.8 m170 58.27 -176.26 0.08 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.184 0.516 . . . . 10.4 112.34 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.412 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 2.2 t60 51.96 -107.91 0.35 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.35 -0.841 . . . . 10.369999999999999 111.525 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.412 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 2.6 t-80 -135.72 -42.24 0.68 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.033 0.444 . . . . 9.4900000000000002 109.866 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 115.619 -0.718 . . . . 12.66 109.324 179.425 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.82 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.144 -0.317 . . . . 6.9500000000000002 110.144 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 p -139.0 -86.18 0.24 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.044 0.449 . . . . 6.4699999999999998 110.108 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -129.15 139.34 51.97 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.148 -0.478 . . . . 3.3500000000000001 110.285 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' HG ' HG21 ' A' ' 15' ' ' ILE . 3.2 tp -75.85 79.96 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.594 . . . . 2.4900000000000002 110.839 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -111.39 144.17 41.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.074 -0.512 . . . . 2.9100000000000001 110.749 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -80.76 109.09 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.741 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -94.24 125.58 38.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.392 -0.367 . . . . 2.23 110.448 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -88.12 114.48 24.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.482 0.658 . . . . 2.52 109.783 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.1 -161.55 22.71 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.263 -0.88 . . . . 1.04 111.774 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.03 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 3.1899999999999999 110.545 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 52.36 43.23 31.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.583 -0.735 . . . . 1.3799999999999999 110.496 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -160.13 172.37 17.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.93999999999999995 111.256 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -132.84 128.1 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.27 -1.011 . . . . 0.68999999999999995 108.27 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.96 152.72 46.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.06 0.457 . . . . 1.1599999999999999 111.269 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.482 HG21 ' HG ' ' A' ' 4' ' ' LEU . 60.8 mt -134.79 134.61 53.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.403 -0.817 . . . . 0.92000000000000004 109.473 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 -169.75 41.57 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.173 -1.013 . . . . 1.52 112.597 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.98 -31.08 50.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.344 0.592 . . . . 2.6200000000000001 110.097 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -159.17 170.73 21.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.033 -0.985 . . . . 1.6000000000000001 108.687 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.75 -35.77 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.221 0.534 . . . . 2.7200000000000002 110.047 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -86.45 -22.9 26.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.288 0.566 . . . . 2.9199999999999999 110.125 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -101.55 44.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.694 . . . . 2.4500000000000002 109.546 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.04 131.27 41.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.544 -0.753 . . . . 1.1899999999999999 111.24 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 47' ' ' LEU . 51.5 mt -96.4 -15.55 21.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.846 -0.615 . . . . 1.3899999999999999 109.641 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.96 134.99 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.77000000000000002 109.048 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -153.23 134.87 14.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.247 0.546 . . . . 1.3300000000000001 112.028 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -128.75 130.01 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.324 -0.853 . . . . 0.40999999999999998 109.042 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -119.71 142.96 48.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 0.59999999999999998 111.41 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -143.67 167.91 21.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.35 -0.611 . . . . 0.76000000000000001 109.35 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 154.05 34.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.68 0.276 . . . . 3.6299999999999999 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -80.37 103.13 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.82999999999999996 109.249 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.29 -31.93 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.435 -0.348 . . . . 0.83999999999999997 111.627 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -130.76 -88.89 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.35 -0.54 . . . . 1.74 111.698 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -126.31 -57.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.827 -0.349 . . . . 2.7200000000000002 111.796 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -121.6 4.78 10.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 1.8400000000000001 110.203 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -94.2 116.81 29.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.341 -0.845 . . . . 2.25 111.319 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 pt -106.86 124.55 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.726 -0.67 . . . . 0.53000000000000003 109.598 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.8 t30 -105.99 131.09 53.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.155 -0.475 . . . . 1.8200000000000001 111.8 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.63 119.53 33.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.885 -0.598 . . . . 0.68999999999999995 109.662 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.12 -26.03 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 2.4700000000000002 111.943 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -143.84 135.06 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.56 . . . . 2.1200000000000001 111.728 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.58 103.75 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 0.72999999999999998 109.774 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.05 137.03 9.49 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.323 -0.942 . . . . 0.69999999999999996 112.784 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.72 132.1 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.404 -0.591 . . . . 0.93000000000000005 109.404 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t -65.85 137.82 57.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.265 0.555 . . . . 1.8300000000000001 111.216 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -95.14 -30.8 13.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.275 -0.875 . . . . 3.1200000000000001 109.066 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.37 -22.36 66.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.075 -0.966 . . . . 3.7999999999999998 110.049 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 23' ' ' LEU . 50.6 tp -61.65 -33.11 73.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.481 -0.782 . . . . 4.4699999999999998 110.38 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.51 -40.32 3.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.948 -0.644 . . . . 3.8599999999999999 112.491 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.51 93.72 1.67 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.136 -0.554 . . . . 3.0499999999999998 112.594 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -84.59 147.38 27.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.925 0.393 . . . . 3.4399999999999999 110.243 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.98 -17.91 8.03 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.594 -0.812 . . . . 1.1100000000000001 111.591 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.77 -31.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 1.1399999999999999 110.595 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.01 95.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.949 -0.643 . . . . 0.58999999999999997 111.999 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -71.09 -34.07 70.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.757 -0.46 . . . . 2.02 109.757 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -70.17 -36.88 75.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.747 -0.66 . . . . 2.5699999999999998 109.81 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 60' ' ' VAL . 13.1 mt -66.16 -46.64 76.7 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.313 -0.625 . . . . 0.85999999999999999 109.313 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 tp -62.41 -34.69 77.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.588 -0.733 . . . . 1.29 109.433 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -61.37 -44.81 96.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.683 -0.69 . . . . 1.3899999999999999 109.615 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.46 98.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.781 -0.645 . . . . 0.56000000000000005 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 56' ' ' LEU . 59.9 t -62.76 -46.16 97.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.44 109.74 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 91' ' ' VAL . 50.9 t -62.18 -44.74 99.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.751 -0.659 . . . . 0.53000000000000003 110.584 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.24 -50.06 75.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 1.76 110.166 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -62.17 -40.37 95.79 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.779 -0.646 . . . . 1.04 110.752 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.645 . . . . 0.84999999999999998 110.998 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.63 -40.96 89.34 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.052 0.22 . . . . 3.1200000000000001 111.014 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.72 -27.71 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 1.8200000000000001 111.484 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -109.24 10.16 25.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.366 -0.379 . . . . 1.3999999999999999 111.323 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 t30 56.19 34.79 24.58 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.559 0.695 . . . . 2.1800000000000002 111.415 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -87.32 162.23 17.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.88 -0.6 . . . . 0.78000000000000003 111.225 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.0 mptt -112.41 137.58 50.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.885 -0.783 . . . . 3.0499999999999998 108.885 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 57.4 mt -109.13 132.49 57.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.323 0.582 . . . . 0.85999999999999999 112.032 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -133.7 161.18 41.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.592 -1.262 . . . . 0.98999999999999999 107.592 177.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.03 130.8 18.03 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.531 -0.867 . . . . 0.5 113.2 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -94.86 -30.16 14.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.389 -0.967 . . . . 0.93999999999999995 108.389 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.24 129.54 41.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.779 -1.1 . . . . 1.3100000000000001 109.752 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -51.5 59.84 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.201 -0.454 . . . . 1.1200000000000001 112.194 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.495 ' CE2' H143 ' A' ' 103' ' ' ACO . 76.0 t80 -61.38 -50.31 73.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.654 -0.248 . . . . 0.94999999999999996 111.244 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.7 96.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.09 0.404 . . . . 0.5 112.09 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -63.13 -43.53 98.13 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.833 -0.432 . . . . 1.27 109.833 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.11 -30.34 70.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.966 -0.561 . . . . 1.21 109.928 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 44.9 mmm -70.75 -49.47 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.51 111.258 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.1 -24.6 65.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.07 -0.514 . . . . 0.57999999999999996 111.328 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -84.32 -23.22 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 1.46 110.21 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -85.96 -43.75 12.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.932 -0.576 . . . . 2.3300000000000001 110.573 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.07 94.84 7.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.009 -0.541 . . . . 1.6000000000000001 110.451 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -16.83 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 2.6600000000000001 110.89 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -70.3 -7.6 43.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 1.46 111.298 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -113.22 14.71 19.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.824 0.345 . . . . 1.0 110.743 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.21 -17.84 64.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.909 0.337 . . . . 2.4199999999999999 111.909 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.519 -0.31 . . . . 2.4399999999999999 111.174 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.462 HG21 HG13 ' A' ' 61' ' ' VAL . 4.2 m -103.34 -32.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.095 -0.242 . . . . 0.87 110.998 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 47.4 t80 -86.52 137.49 32.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.336 . . . . 1.1399999999999999 110.156 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.93 46.6 0.8 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.336 -0.393 . . . . 1.4199999999999999 111.368 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.56 -25.6 65.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.992 -0.623 . . . . 3.6400000000000001 111.557 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 72.69 10.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.107 0.48 . . . . 6.5 110.103 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -81.88 -54.19 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.184 -0.462 . . . . 5.1500000000000004 111.649 -179.307 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.522 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 29.5 p80 -179.69 -35.17 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.186 0.439 . . . . 5.8799999999999999 112.186 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -90.81 -40.04 12.02 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.267 -0.573 . . . . 6.29 111.727 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.0 m170 61.7 172.67 0.12 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.198 0.523 . . . . 10.4 112.318 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.9 t60 59.65 -90.92 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.368 -0.833 . . . . 10.369999999999999 111.868 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.37 -31.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.762 0.315 . . . . 9.4900000000000002 110.874 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.605 -0.712 . . . . 12.66 110.045 179.727 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.694 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.35 0.595 . . . . 6.9500000000000002 110.099 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -78.86 0.51 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.019 -0.537 . . . . 6.4699999999999998 110.968 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.532 ' OD1' ' HG2' ' A' ' 5' ' ' GLU . 19.3 t-20 -151.61 154.86 37.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.945 -0.391 . . . . 3.3500000000000001 109.945 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp -84.56 57.82 4.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.464 . . . . 2.4900000000000002 110.957 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.532 ' HG2' ' OD1' ' A' ' 3' ' ' ASN . 9.4 mm-40 -91.38 134.35 34.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.11 -0.495 . . . . 2.9100000000000001 110.435 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -73.58 94.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 1.0 109.644 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 12.0 mmmm -76.39 125.93 30.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.483 -0.78 . . . . 2.23 110.563 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -98.95 120.79 39.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.208 0.528 . . . . 2.52 110.259 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.25 -162.6 13.65 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.768 -0.651 . . . . 1.04 111.59 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.26 91.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.734 0.414 . . . . 3.1899999999999999 110.971 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 52.63 39.2 27.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.746 -0.661 . . . . 1.3799999999999999 111.198 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -155.32 156.68 35.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.93999999999999995 110.888 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -122.68 130.02 52.49 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.678 -0.86 . . . . 0.68999999999999995 108.678 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 14.8 p90 -143.28 151.16 40.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.196 0.522 . . . . 1.1599999999999999 111.035 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.98 120.64 50.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.652 -0.704 . . . . 0.92000000000000004 109.201 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.35 172.04 44.44 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.88 -0.676 . . . . 1.52 111.881 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.58 -28.25 62.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 2.6200000000000001 110.62 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -149.27 165.56 31.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.578 -0.527 . . . . 1.6000000000000001 109.578 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.41 -29.41 70.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.888 0.375 . . . . 2.7200000000000002 110.607 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -95.11 4.57 53.53 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.539 0.685 . . . . 2.9199999999999999 109.909 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -126.63 43.86 3.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.553 -0.749 . . . . 2.4500000000000002 110.092 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.26 114.03 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.969 -0.559 . . . . 1.1899999999999999 110.693 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -84.04 -11.27 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.351 0.596 . . . . 1.3899999999999999 109.486 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.71 128.02 2.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.116 -0.947 . . . . 0.77000000000000002 108.927 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.11 138.84 23.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.211 0.529 . . . . 1.3300000000000001 111.967 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -134.04 128.99 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.204 -0.907 . . . . 0.40999999999999998 109.285 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -117.87 137.74 52.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.59999999999999998 111.574 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -135.75 167.07 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.408 -0.59 . . . . 0.76000000000000001 109.408 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -161.2 154.97 22.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.818 0.342 . . . . 3.6299999999999999 111.109 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.12 114.74 21.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.902 -0.777 . . . . 0.82999999999999996 108.902 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.3 m -90.8 -29.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.24 0.459 . . . . 0.83999999999999997 112.24 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 10.8 t70 -131.93 -81.28 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.673 -0.411 . . . . 1.74 111.066 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -131.44 -70.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 2.7200000000000002 111.387 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -110.57 0.07 17.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.205 0.526 . . . . 1.8400000000000001 110.216 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 15.1 mp0 -84.49 116.48 23.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.686 -0.688 . . . . 2.25 110.999 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 pt -107.39 121.74 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.03 -0.532 . . . . 0.53000000000000003 109.659 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 9.6 t30 -103.66 125.62 50.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 1.8200000000000001 111.759 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.71 124.21 40.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.811 -0.811 . . . . 0.68999999999999995 108.811 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -100.84 -53.56 3.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.169 0.433 . . . . 2.4700000000000002 112.169 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -112.73 140.53 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.323 0.583 . . . . 2.1200000000000001 112.035 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -148.8 107.71 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.096 -0.956 . . . . 0.72999999999999998 108.524 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.33 152.65 22.51 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.208 -0.996 . . . . 0.69999999999999996 113.104 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.48 125.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.485 -0.561 . . . . 0.93000000000000005 109.485 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 m -92.88 132.2 37.24 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.208 0.528 . . . . 1.8300000000000001 110.763 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.28 -8.45 53.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.731 -0.668 . . . . 3.1200000000000001 111.602 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.5 -20.83 63.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.938 0.399 . . . . 3.7999999999999998 111.316 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -75.63 -27.04 58.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.17 0.509 . . . . 4.4699999999999998 110.518 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.15 -50.65 1.31 Allowed Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.36 -0.696 . . . . 3.8599999999999999 111.36 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.4 144.77 27.28 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.042 -0.599 . . . . 3.0499999999999998 111.972 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.94 165.42 12.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.212 -0.292 . . . . 3.4399999999999999 110.212 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.24 10.0 78.68 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.598 -0.81 . . . . 1.1100000000000001 113.04 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.86 -32.92 53.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 1.1399999999999999 110.919 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.7 -27.93 67.21 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.857 -0.611 . . . . 0.58999999999999997 112.289 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -70.07 -32.09 70.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 2.02 110.204 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -73.33 -40.5 64.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.547 -0.538 . . . . 2.5699999999999998 109.547 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.95 -47.47 77.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.523 -0.762 . . . . 0.85999999999999999 109.965 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.12 -38.39 88.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.703 -0.681 . . . . 1.29 110.26 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -58.01 -42.94 86.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.239 -0.437 . . . . 1.3899999999999999 110.308 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.36 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.793 -0.64 . . . . 0.56000000000000005 110.323 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.35 -46.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.914 -0.402 . . . . 0.44 109.914 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.454 HG13 HG21 ' A' ' 91' ' ' VAL . 54.7 t -59.53 -44.68 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.754 -0.657 . . . . 0.53000000000000003 110.44 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -65.92 -45.62 81.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 1.76 111.025 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.524 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.8 t60 -65.75 -35.75 81.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.785 0.326 . . . . 1.04 111.043 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.72 93.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.84999999999999998 110.134 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 90' ' ' ASP . 27.8 tpt180 -62.18 -37.45 85.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.545 . . . . 3.1200000000000001 110.546 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 51.9 mt-10 -63.12 -36.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.8200000000000001 111.665 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.444 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 38.2 m-80 -103.85 5.52 35.9 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.429 0.529 . . . . 1.3999999999999999 112.429 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.16 37.27 20.87 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.747 0.784 . . . . 2.1800000000000002 110.542 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 69.4 mt -83.53 158.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.78000000000000003 110.821 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.6 mptt -104.3 125.15 50.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.827 -0.805 . . . . 3.0499999999999998 108.827 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 61' ' ' VAL . 53.8 mt -96.67 125.93 49.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.56 0.695 . . . . 0.85999999999999999 112.829 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -135.05 153.03 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.444 -1.317 . . . . 0.98999999999999999 107.444 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.61 141.14 37.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.993 -0.683 . . . . 0.5 112.669 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 m -92.83 -32.23 14.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.322 -0.854 . . . . 0.93999999999999995 108.923 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -67.18 129.49 40.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.265 -0.88 . . . . 1.3100000000000001 109.845 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -57.04 -35.18 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.437 -0.347 . . . . 1.1200000000000001 111.323 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -65.08 -62.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.911 -0.586 . . . . 0.94999999999999996 111.838 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -58.01 -42.35 85.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.5 111.796 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.86 -39.54 89.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 1.27 110.202 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.484 ' HA ' ' HG2' ' A' ' 83' ' ' GLU . 69.3 t60 -69.79 -29.99 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.21 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.57 -35.65 73.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.956 0.408 . . . . 1.51 110.606 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 45.5 mt -72.11 -45.38 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 0.57999999999999996 111.0 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 26.1 pt-20 -73.22 -19.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 1.46 111.503 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 5.6 ttpp -75.63 -11.4 60.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.522 . . . . 2.3300000000000001 110.448 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.65 106.66 11.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.997 -0.547 . . . . 1.6000000000000001 110.39 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.82 -27.14 68.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.518 0.675 . . . . 2.6600000000000001 110.235 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -79.13 -0.28 31.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.438 -0.801 . . . . 1.46 111.991 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -92.9 4.73 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.947 0.403 . . . . 1.0 110.56 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -70.74 0.92 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 2.4199999999999999 111.813 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.412 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 16.8 p-10 -82.97 -22.66 33.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.193 0.52 . . . . 2.4399999999999999 109.672 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 HG13 ' A' ' 61' ' ' VAL . 4.9 m -124.64 -31.66 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.529 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -88.39 137.57 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 1.1399999999999999 109.832 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.09 67.85 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 1.4199999999999999 111.211 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.46 -17.63 19.05 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.903 -0.665 . . . . 3.6400000000000001 112.025 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.503 ' HA ' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -92.75 79.61 4.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.96 0.41 . . . . 6.5 110.544 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -94.92 -58.94 2.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.197 -0.456 . . . . 5.1500000000000004 111.35 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.501 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 24.0 p80 -178.29 -38.67 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.607 0.595 . . . . 5.8799999999999999 112.607 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -88.4 -40.89 13.17 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.344 -0.542 . . . . 6.29 112.173 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.503 ' NE2' ' HA ' ' A' ' 95' ' ' LEU . 10.3 m80 59.62 -177.5 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.442 0.534 . . . . 10.4 112.442 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.2 t60 56.82 -93.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.602 -0.726 . . . . 10.369999999999999 111.479 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -154.78 -41.81 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.763 -0.458 . . . . 9.4900000000000002 109.763 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.242 0.699 0 CA-C-O 118.596 -0.716 . . . . 12.66 109.618 178.878 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.576 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 109.895 -0.409 . . . . 6.9500000000000002 109.895 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -132.92 -72.38 0.51 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.076 0.465 . . . . 6.4699999999999998 110.508 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -162.99 153.92 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.135 -0.691 . . . . 3.3500000000000001 109.135 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.93 62.85 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.974 0.416 . . . . 2.4900000000000002 111.051 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 15' ' ' ILE . 12.2 mm-40 -94.01 145.02 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.604 . . . . 2.9100000000000001 110.353 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -79.53 97.01 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.855 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 18.9 mmmt -90.99 117.52 29.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 2.23 110.369 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.19 129.05 39.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 2.52 110.046 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.58 -153.14 10.58 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.485 -0.78 . . . . 1.04 111.19 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 89.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.694 0.247 . . . . 3.1899999999999999 110.349 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.552 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.2 m-80 52.6 44.54 29.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.779 -0.646 . . . . 1.3799999999999999 110.14 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -154.63 168.81 25.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.821 -0.627 . . . . 0.93999999999999995 111.376 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.1 119.45 20.99 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.751 -0.833 . . . . 0.68999999999999995 108.751 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 25.6 p90 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.891 0.377 . . . . 1.1599999999999999 110.886 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 5' ' ' GLU . 61.6 mt -136.05 131.9 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.804 -0.635 . . . . 0.92000000000000004 109.736 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.81 -157.0 28.84 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.708 -0.758 . . . . 1.52 112.314 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.84 -35.45 19.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.099 0.476 . . . . 2.6200000000000001 110.39 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.15 169.45 21.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.477 -0.783 . . . . 1.6000000000000001 109.517 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.56 -40.07 71.45 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.241 0.543 . . . . 2.7200000000000002 110.057 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -87.52 -27.09 22.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.433 0.635 . . . . 2.9199999999999999 109.739 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.59 44.24 1.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.762 0.791 . . . . 2.4500000000000002 109.234 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.62 128.17 34.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.98 -1.009 . . . . 1.1899999999999999 110.286 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.82 -11.76 55.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.143 0.497 . . . . 1.3899999999999999 110.097 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.68 134.33 4.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.664 -0.698 . . . . 0.77000000000000002 109.61 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 126.44 12.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 1.3300000000000001 110.828 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -122.12 120.44 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.475 -0.784 . . . . 0.40999999999999998 109.324 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.22 145.49 38.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.005 -0.543 . . . . 0.59999999999999998 111.365 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -143.54 170.15 16.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.791 -0.64 . . . . 0.76000000000000001 109.978 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.552 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -152.54 154.55 35.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 3.6299999999999999 110.301 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.85 103.26 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.302 -0.629 . . . . 0.82999999999999996 109.302 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.6 m -71.66 -40.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.83999999999999997 112.252 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.443 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 13.9 t70 -125.71 -81.63 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.739 -0.385 . . . . 1.74 111.307 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -134.71 -60.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.117 0.414 . . . . 2.7200000000000002 112.117 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -111.79 -3.87 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.101 0.477 . . . . 1.8400000000000001 110.744 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 10.8 mp0 -85.08 117.51 24.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.971 -0.559 . . . . 2.25 111.678 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.53 119.36 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.53000000000000003 109.314 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 12.1 t30 -102.68 119.84 39.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.241 -0.436 . . . . 1.8200000000000001 111.751 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.68 110.13 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.448 -0.945 . . . . 0.68999999999999995 108.448 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.13 -30.74 13.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.267 0.469 . . . . 2.4700000000000002 112.267 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.554 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 65.5 t60 -131.69 126.15 33.87 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.277 -0.569 . . . . 2.1200000000000001 112.276 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -133.04 89.31 2.6 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.338 -0.986 . . . . 0.72999999999999998 108.338 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.78 132.98 11.05 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.2 -1.0 . . . . 0.69999999999999996 113.199 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' HB ' H142 ' A' ' 103' ' ' ACO . 44.3 t -130.67 132.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.678 -0.86 . . . . 0.93000000000000005 108.678 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -82.19 122.31 27.73 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.086 0.47 . . . . 1.8300000000000001 110.927 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.95 12.36 37.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.396 0.617 . . . . 3.1200000000000001 109.94 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.64 -6.66 21.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.572 -0.74 . . . . 3.7999999999999998 111.191 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.46 9.06 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.249 -0.432 . . . . 4.4699999999999998 110.201 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.71 -129.23 8.17 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.805 -0.712 . . . . 3.8599999999999999 112.267 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.15 80.78 0.3 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.094 -0.574 . . . . 3.0499999999999998 111.677 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -86.6 109.24 19.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.102 0.477 . . . . 3.4399999999999999 111.485 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.44 32.85 6.7 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 110.984 -0.847 . . . . 1.1100000000000001 110.984 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.31 -30.3 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.419 -0.391 . . . . 1.1399999999999999 111.209 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.33 -34.28 73.94 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.005 -0.617 . . . . 0.58999999999999997 112.287 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -68.29 -41.45 80.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.207 0.527 . . . . 2.02 109.759 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -68.18 -40.09 82.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 2.5699999999999998 110.244 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 60' ' ' VAL . 30.5 mt -63.25 -46.71 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.76 -0.654 . . . . 0.85999999999999999 110.768 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 61' ' ' VAL . 16.9 tp -63.77 -35.18 79.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.29 110.297 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.52 -43.11 97.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.413 -0.358 . . . . 1.3899999999999999 110.123 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.07 79.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.56000000000000005 110.177 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 56' ' ' LEU . 81.7 t -66.79 -45.3 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.284 -0.635 . . . . 0.44 109.284 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' HA ' HD11 ' A' ' 71' ' ' ILE . 70.6 t -59.68 -46.08 93.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.685 -0.689 . . . . 0.53000000000000003 110.105 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 47.9 mt-10 -60.08 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.537 -0.756 . . . . 1.76 110.469 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.516 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.7 t60 -63.04 -36.74 84.57 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.898 -0.592 . . . . 1.04 110.756 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.18 92.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.527 . . . . 0.84999999999999998 110.085 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.14 -32.45 73.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 3.1200000000000001 110.817 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 65.4 mt-10 -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.078 -0.51 . . . . 1.8200000000000001 111.412 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.44 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 41.0 m-80 -108.87 9.4 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.333 -0.394 . . . . 1.3999999999999999 111.803 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.45 38.11 29.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.581 0.705 . . . . 2.1800000000000002 110.713 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.7 mt -81.4 159.3 24.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.681 -0.69 . . . . 0.78000000000000003 110.93 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.1 mptt -106.24 127.9 53.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.869 -0.789 . . . . 3.0499999999999998 108.869 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 61' ' ' VAL . 51.5 mt -96.33 132.76 39.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 112.851 0.686 . . . . 0.85999999999999999 112.851 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.0 pt -143.87 157.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.204 -1.406 . . . . 0.98999999999999999 107.204 177.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.73 134.01 14.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.718 -0.793 . . . . 0.5 112.607 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -25.15 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.917 -0.771 . . . . 0.93999999999999995 108.917 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.76 121.39 18.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.276 -0.875 . . . . 1.3100000000000001 109.26 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -55.24 -38.95 69.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.296 0.48 . . . . 1.1200000000000001 112.296 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CE2' H143 ' A' ' 103' ' ' ACO . 40.9 t80 -62.37 -55.85 24.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.94999999999999996 111.07 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.48 97.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.261 -0.427 . . . . 0.5 111.257 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 13.1 tmtt? -60.27 -47.05 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 1.27 110.642 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -67.94 -29.78 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.303 -0.408 . . . . 1.21 111.632 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tpp -63.39 -38.08 89.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.389 -0.597 . . . . 1.51 109.389 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 92' ' ' TYR . 11.4 mt -72.78 -33.32 66.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.515 -0.766 . . . . 0.57999999999999996 110.328 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.4 mt-10 -69.99 -29.2 66.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.507 0.67 . . . . 1.46 109.918 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.85 -24.01 55.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.084 -0.962 . . . . 2.3300000000000001 111.149 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -111.85 97.4 6.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.223 0.535 . . . . 1.6000000000000001 111.167 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.33 -29.2 70.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.455 -0.793 . . . . 2.6600000000000001 110.725 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -11.89 61.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 1.46 111.68 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -95.26 2.27 54.79 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.641 0.258 . . . . 1.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.32 3.71 10.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.776 0.322 . . . . 2.4199999999999999 111.524 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -77.96 -25.62 48.3 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.625 -0.509 . . . . 2.4399999999999999 109.625 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG21 HG13 ' A' ' 61' ' ' VAL . 2.6 m -118.56 -29.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.571 -0.741 . . . . 0.87 110.134 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.527 ' CD1' HD13 ' A' ' 82' ' ' LEU . 55.2 t80 -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.638 -0.504 . . . . 1.1399999999999999 109.638 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.36 67.87 4.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.043 0.449 . . . . 1.4199999999999999 110.738 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -104.6 -27.96 5.87 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.981 -0.628 . . . . 3.6400000000000001 111.747 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 86.0 7.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.087 0.47 . . . . 6.5 110.153 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -89.1 -54.87 3.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.999 -0.546 . . . . 5.1500000000000004 111.18 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.575 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 21.6 p80 -179.93 -39.57 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.268 0.47 . . . . 5.8799999999999999 112.268 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -87.04 -37.72 17.2 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.508 -0.477 . . . . 6.29 112.127 -177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.9 m80 61.27 -178.5 0.11 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.288 0.566 . . . . 10.4 112.214 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.1 t60 59.47 -91.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.388 -0.823 . . . . 10.369999999999999 112.743 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -158.26 -66.84 0.09 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 112.348 0.499 . . . . 9.4900000000000002 112.348 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.395 -0.812 . . . . 12.66 110.522 -179.217 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.553 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.73 0.3 . . . . 6.9500000000000002 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -82.86 59.34 4.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.115 0.483 . . . . 6.4699999999999998 110.105 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -99.93 -176.37 3.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.901 -0.59 . . . . 3.3500000000000001 109.567 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp 60.92 28.64 18.41 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.157 0.503 . . . . 2.4900000000000002 110.765 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -76.79 162.85 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 2.9100000000000001 109.694 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 59' ' ' ALA . 7.4 mt -75.2 96.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.182 0.515 . . . . 1.0 110.156 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -80.72 124.26 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.617 -0.719 . . . . 2.23 110.129 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.17 143.2 39.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.232 0.539 . . . . 2.52 110.753 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.39 -168.46 12.17 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.631 -0.713 . . . . 1.04 111.337 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 10' ' ' GLU . 4.7 pt-20 -65.8 94.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.841 0.353 . . . . 3.1899999999999999 111.087 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.41 33.49 22.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.53 -0.759 . . . . 1.3799999999999999 110.6 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 38.6 pttt -159.72 -179.41 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.93999999999999995 111.44 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -135.89 141.28 44.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.427 -0.953 . . . . 0.68999999999999995 108.427 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -152.02 163.04 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.274 0.559 . . . . 1.1599999999999999 111.679 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.3 mt -131.53 126.76 58.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.447 -0.797 . . . . 0.92000000000000004 109.577 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.29 174.37 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.582 -0.818 . . . . 1.52 112.543 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.67 -58.38 7.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 2.6200000000000001 110.8 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -135.19 164.15 28.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.106 -0.702 . . . . 1.6000000000000001 109.106 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.16 -33.96 76.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.599 0.222 . . . . 2.7200000000000002 111.599 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -68.72 -41.42 79.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.25 0.548 . . . . 2.9199999999999999 109.768 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.74 35.94 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 2.4500000000000002 110.053 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.25 132.43 49.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 1.1899999999999999 111.159 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.06 -41.58 64.0 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.964 -0.754 . . . . 1.3899999999999999 108.964 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.84 148.01 20.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.174 -0.921 . . . . 0.77000000000000002 110.416 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -150.57 149.36 29.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.02 0.438 . . . . 1.3300000000000001 110.686 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 15.1 tt -135.82 127.01 44.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.075 -0.713 . . . . 0.40999999999999998 109.075 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.9 p -108.98 142.73 39.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.722 0.296 . . . . 0.59999999999999998 111.462 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.4 p90 -135.12 150.98 50.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.887 -0.412 . . . . 0.76000000000000001 109.887 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -139.79 156.2 46.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.915 0.388 . . . . 3.6299999999999999 110.577 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -88.73 106.27 18.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.115 -0.493 . . . . 0.82999999999999996 110.156 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -81.65 -24.97 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.83999999999999997 110.644 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -136.6 -97.09 0.22 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 1.74 109.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -149.34 -49.74 0.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.39 -0.596 . . . . 2.7200000000000002 109.39 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 69' ' ' LEU . 2.8 t30 -107.24 17.01 23.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 1.8400000000000001 109.545 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -131.5 126.13 34.17 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.468 -0.787 . . . . 2.25 110.167 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -122.08 139.21 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.53000000000000003 110.473 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 p-10 -111.94 142.37 44.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.208 -0.451 . . . . 1.8200000000000001 111.272 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.55 105.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.755 -1.202 . . . . 0.68999999999999995 107.755 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -60.06 -69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 2.4700000000000002 111.614 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.504 ' HB2' HH31 ' A' ' 103' ' ' ACO . 10.4 p-80 -137.16 147.79 46.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.027 0.441 . . . . 2.1200000000000001 111.165 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -118.93 129.86 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.545 -0.752 . . . . 0.72999999999999998 109.914 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -140.32 104.09 0.39 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.448 -0.882 . . . . 0.69999999999999996 111.821 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' HB ' H142 ' A' ' 103' ' ' ACO . 5.2 t -117.7 159.46 17.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 110.275 -0.268 . . . . 0.93000000000000005 110.275 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.03 129.37 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.8300000000000001 110.977 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.31 -25.12 63.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.895 -0.593 . . . . 3.1200000000000001 110.854 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -75.25 61.67 1.19 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.997 0.427 . . . . 3.7999999999999998 111.672 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' GLN . 26.4 mt 64.13 16.26 9.88 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.619 -0.719 . . . . 4.4699999999999998 111.683 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.62 -28.98 72.8 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.624 -0.798 . . . . 3.8599999999999999 111.666 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.87 7.29 51.58 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.891 -0.671 . . . . 3.0499999999999998 112.453 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.5 mm100 -91.52 -31.21 16.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.833 0.349 . . . . 3.4399999999999999 110.699 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.46 -52.27 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.611 -0.804 . . . . 1.1100000000000001 112.189 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.39 -49.85 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.919 0.39 . . . . 1.1399999999999999 111.438 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.34 99.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.58999999999999997 112.755 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -68.71 -28.37 66.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 2.02 110.077 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.79 -39.75 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 2.5699999999999998 110.262 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.889 -0.596 . . . . 0.85999999999999999 110.185 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.52 -37.7 84.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 1.29 109.813 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.64 -41.5 97.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.33 -0.85 . . . . 1.3899999999999999 110.751 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.647 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -59.68 -45.96 90.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.56000000000000005 111.345 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.7 t -61.75 -47.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.44 110.672 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 58.6 t -66.7 -34.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 0.53000000000000003 111.064 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -57.2 -53.48 57.64 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.946 0.403 . . . . 1.76 110.119 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 27.3 t60 -65.23 -28.95 69.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.981 -0.554 . . . . 1.04 109.994 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.58 -28.15 66.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.681 -0.691 . . . . 0.84999999999999998 110.605 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 30.8 mmt180 -76.39 -32.54 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 3.1200000000000001 110.109 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.512 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 41.5 mt-10 -66.99 -51.47 54.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.645 -0.707 . . . . 1.8200000000000001 111.375 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 4.5 m120 -92.47 -10.7 36.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.509 . . . . 1.3999999999999999 112.18 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 60.67 63.62 1.3 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.187 0.518 . . . . 2.1800000000000002 109.869 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 mt -105.02 165.72 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.78000000000000003 111.282 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -90.09 133.68 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.205 -0.665 . . . . 3.0499999999999998 109.205 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.464 HD11 ' HB2' ' A' ' 64' ' ' ALA . 48.3 mm -109.6 122.16 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.966 0.413 . . . . 0.85999999999999999 111.753 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -132.53 146.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.379 -0.971 . . . . 0.98999999999999999 108.379 177.379 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.64 54.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.952 0.406 . . . . 0.5 111.87 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -84.88 -35.69 22.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.844 -0.616 . . . . 0.93999999999999995 109.58 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -74.64 130.86 40.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.451 -0.795 . . . . 1.3100000000000001 110.062 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.8 m -60.29 -35.82 76.44 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.777 0.288 . . . . 1.1200000000000001 111.777 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.469 ' O ' ' HG3' ' A' ' 81' ' ' MET . 12.0 t80 -63.22 -57.25 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.627 -0.261 . . . . 0.94999999999999996 110.586 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.53 79.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.425 . . . . 0.5 110.861 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.82 -0.627 . . . . 1.27 110.134 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 81.4 t60 -74.61 -26.75 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 1.21 111.163 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 91.7 mtp -63.22 -47.34 82.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 1.51 110.129 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.25 -30.8 63.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.346 0.593 . . . . 0.57999999999999996 109.969 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 36.2 tt0 -68.39 -22.73 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.141 -0.936 . . . . 1.46 110.898 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.36 -15.48 56.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 2.3300000000000001 111.764 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -120.08 119.25 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.076 -0.39 . . . . 1.6000000000000001 111.659 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 2.6600000000000001 110.289 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 m -62.54 -36.15 81.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.643 -0.708 . . . . 1.46 110.933 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.422 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 6.2 m-30 -72.8 -23.17 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.12 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -66.1 -7.8 19.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.364 -0.38 . . . . 2.4199999999999999 111.97 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -63.66 -43.57 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.992 -0.744 . . . . 2.4399999999999999 108.992 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 m -104.98 -37.03 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.126 -0.943 . . . . 0.87 110.459 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 2.8 t80 -75.84 135.58 40.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 1.1399999999999999 109.742 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.4 mt -76.86 81.93 3.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.386 0.612 . . . . 1.4199999999999999 111.156 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.71 4.13 56.31 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.47 -0.786 . . . . 3.6400000000000001 112.167 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -61.48 -36.53 80.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 6.5 110.443 179.626 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' HG ' ' A' ' 95' ' ' LEU . 20.6 mm-40 -84.05 105.15 14.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.892 -0.411 . . . . 5.1500000000000004 109.892 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -129.99 30.98 4.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.969 -0.56 . . . . 5.8799999999999999 110.161 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 99' ' ' HIS . 18.1 t-160 -67.89 116.92 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 6.29 110.28 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 98' ' ' HIS . 86.2 t60 73.68 94.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 124.131 0.894 . . . . 10.4 111.237 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -128.66 72.48 1.45 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.568 -0.742 . . . . 10.369999999999999 109.329 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -116.0 76.51 1.02 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.856 -0.611 . . . . 9.4900000000000002 110.155 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 118.571 -0.728 . . . . 12.66 110.57 -179.512 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.504 HH31 ' HB2' ' A' ' 40' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.259 -0.275 . . . . 6.9500000000000002 110.259 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 p -153.27 -77.73 0.11 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 6.4699999999999998 110.589 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -148.05 139.25 23.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.931 -0.577 . . . . 3.3500000000000001 109.556 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.52 71.39 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.072 0.463 . . . . 2.4900000000000002 111.171 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -92.61 143.59 26.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.869 -0.605 . . . . 2.9100000000000001 109.912 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -75.04 95.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.194 0.521 . . . . 1.0 110.257 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.04 130.52 34.44 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.726 -0.67 . . . . 2.23 110.226 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -108.84 144.79 36.25 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.16 0.505 . . . . 2.52 110.201 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.81 -155.04 8.29 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.21 -0.756 . . . . 1.04 111.21 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.33 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.323 -0.251 . . . . 3.1899999999999999 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 42.7 m-80 53.44 42.46 31.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.621 -0.718 . . . . 1.3799999999999999 109.888 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -150.15 164.13 36.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.93999999999999995 111.312 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 56' ' ' LEU . 42.7 m-85 -131.51 137.15 48.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.97 -1.122 . . . . 0.68999999999999995 107.97 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -156.41 156.44 33.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.283 0.563 . . . . 1.1599999999999999 111.86 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.634 HG13 HD21 ' A' ' 56' ' ' LEU . 73.8 mt -136.27 124.95 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.183 -0.917 . . . . 0.92000000000000004 108.902 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.8 173.85 46.37 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.366 -0.921 . . . . 1.52 112.468 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.58 -33.66 74.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 2.6200000000000001 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -149.37 170.49 18.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.614 -0.721 . . . . 1.6000000000000001 109.195 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.36 -40.97 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 2.7200000000000002 110.237 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -85.0 -19.79 31.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 2.9199999999999999 110.239 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.42 41.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.763 -0.653 . . . . 2.4500000000000002 109.926 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.24 111.52 8.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.743 -0.662 . . . . 1.1899999999999999 110.548 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.57 -32.67 64.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.442 0.639 . . . . 1.3899999999999999 109.317 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -144.59 129.75 18.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.06 -0.973 . . . . 0.77000000000000002 109.195 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.79 131.08 19.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.968 0.414 . . . . 1.3300000000000001 111.023 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -128.11 119.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.648 -0.705 . . . . 0.40999999999999998 109.286 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.476 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.62 144.98 40.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.59999999999999998 111.304 -179.285 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HB3' HG12 ' A' ' 38' ' ' ILE . 46.0 p90 -143.72 175.83 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.778 -0.647 . . . . 0.76000000000000001 109.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -160.61 151.7 18.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.76 0.314 . . . . 3.6299999999999999 110.94 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -82.89 104.38 13.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.63 -0.878 . . . . 0.82999999999999996 108.63 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.57 -16.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.565 0.58 . . . . 0.83999999999999997 112.565 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -139.47 -90.63 0.19 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.826 -0.35 . . . . 1.74 110.842 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -128.74 -60.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.276 -0.265 . . . . 2.7200000000000002 111.191 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -115.95 -3.61 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 1.8400000000000001 110.543 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -84.55 120.61 26.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.633 -0.712 . . . . 2.25 111.16 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 pt -109.49 117.86 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.53000000000000003 109.856 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 22.6 t30 -94.13 122.87 37.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 1.8200000000000001 111.587 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 ' HB3' ' A' ' 28' ' ' TYR . 52.7 mt -100.75 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.676 -0.861 . . . . 0.68999999999999995 108.676 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' C ' ' HB2' ' A' ' 75' ' ' CYS . 14.6 t70 -114.63 -18.98 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.132 0.419 . . . . 2.4700000000000002 112.132 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.476 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 38.8 t60 -121.65 127.47 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.51 . . . . 2.1200000000000001 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.03 109.88 4.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.577 -0.738 . . . . 0.72999999999999998 109.857 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -115.42 133.39 10.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.8 -0.714 . . . . 0.69999999999999996 111.865 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 123.84 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.337 -0.246 . . . . 0.93000000000000005 110.337 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -81.13 112.16 18.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.649 -0.5 . . . . 1.8300000000000001 109.649 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -88.13 -18.14 29.46 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.973 -0.558 . . . . 3.1200000000000001 110.906 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -73.33 -13.43 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.977 0.418 . . . . 3.7999999999999998 110.171 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tp -76.63 -37.71 55.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.757 -0.656 . . . . 4.4699999999999998 110.449 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.5 -15.99 34.87 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.838 -0.619 . . . . 3.8599999999999999 111.626 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.2 91.15 1.7 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.066 -0.587 . . . . 3.0499999999999998 112.368 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -84.68 -26.66 27.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.849 0.357 . . . . 3.4399999999999999 110.954 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.51 -12.31 83.88 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.614 -0.803 . . . . 1.1100000000000001 112.289 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.02 -43.84 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 1.1399999999999999 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.69 88.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.85 -0.691 . . . . 0.58999999999999997 111.74 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -71.32 -34.22 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 2.02 110.368 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -61.06 -42.41 98.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.841 -0.618 . . . . 2.5699999999999998 110.237 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 15' ' ' ILE . 63.5 mt -69.11 -44.11 73.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.566 . . . . 0.85999999999999999 110.65 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 61' ' ' VAL . 30.9 tp -61.02 -42.14 97.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 1.29 110.125 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.89 -41.45 96.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 1.3899999999999999 110.216 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.89 97.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.56000000000000005 110.605 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.47 -47.78 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.44 109.999 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.8 t -61.66 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.589 . . . . 0.53000000000000003 110.742 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.3 mt-10 -62.56 -45.79 91.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.099 -0.5 . . . . 1.76 110.841 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.456 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.1 t60 -65.33 -33.59 76.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 1.04 110.372 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.72 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.84999999999999998 109.663 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -62.68 -34.51 77.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 3.1200000000000001 110.173 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 57.9 mt-10 -63.97 -34.7 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 1.8200000000000001 112.0 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -114.52 11.38 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.771 0.656 . . . . 1.3999999999999999 112.771 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 t30 58.72 43.99 17.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.409 0.623 . . . . 2.1800000000000002 111.028 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -89.26 158.54 17.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.78000000000000003 110.347 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.3 mptt -111.25 125.79 54.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.661 . . . . 3.0499999999999998 109.217 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 61' ' ' VAL . 57.7 mt -97.9 129.13 48.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.285 0.564 . . . . 0.85999999999999999 112.439 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -127.83 122.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.966 -1.124 . . . . 0.98999999999999999 107.966 177.191 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.52 109.38 19.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.226 0.454 . . . . 0.5 112.226 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -91.49 -20.3 21.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.848 -0.797 . . . . 0.93999999999999995 108.848 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.474 ' HB2' ' C ' ' A' ' 39' ' ' ASP . 5.6 t -62.29 132.67 53.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.147 -0.933 . . . . 1.3100000000000001 110.096 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -35.68 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.38 0.425 . . . . 1.1200000000000001 111.995 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.449 ' CG ' H143 ' A' ' 103' ' ' ACO . 63.2 t80 -80.64 -54.99 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.279 . . . . 0.94999999999999996 111.132 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 75' ' ' CYS . . . -57.11 -38.11 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.5 111.847 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.18 -52.38 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 1.27 110.315 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.69 -32.2 73.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.294 -0.412 . . . . 1.21 110.989 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 64.3 mmm -62.23 -57.44 11.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 1.51 111.011 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 92' ' ' TYR . 4.8 mt -71.46 -16.82 62.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.952 -0.567 . . . . 0.57999999999999996 110.811 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.49 -36.18 65.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.719 . . . . 1.46 109.23 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -82.19 -44.59 16.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.235 -0.893 . . . . 2.3300000000000001 109.572 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 90.0 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.725 -0.67 . . . . 1.6000000000000001 111.237 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.86 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.461 -0.791 . . . . 2.6600000000000001 110.825 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -22.43 66.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.818 -0.628 . . . . 1.46 111.825 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -92.25 -5.44 52.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.666 0.269 . . . . 1.0 111.197 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -80.08 17.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.102 0.477 . . . . 2.4199999999999999 111.613 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.72 -32.04 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.696 -0.853 . . . . 2.4399999999999999 108.696 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.96 -20.09 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.54 -0.754 . . . . 0.87 109.849 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' HD13 ' A' ' 82' ' ' LEU . 41.8 t80 -87.94 135.76 33.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 1.1399999999999999 109.617 178.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.7 mt -80.66 83.39 6.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.253 0.549 . . . . 1.4199999999999999 110.918 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -132.19 19.34 4.61 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.474 -0.785 . . . . 3.6400000000000001 111.481 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.96 34.25 5.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.535 0.683 . . . . 6.5 109.343 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -55.57 -63.06 1.29 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.063 -0.971 . . . . 5.1500000000000004 111.932 -178.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.523 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 24.9 p80 -175.0 -37.75 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.445 0.535 . . . . 5.8799999999999999 112.445 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -80.19 -43.55 21.34 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.554 -0.459 . . . . 6.29 111.662 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 m80 59.54 173.77 0.08 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.28 0.562 . . . . 10.4 112.409 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 60.93 -88.39 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.406 -0.815 . . . . 10.369999999999999 112.666 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -158.02 -55.34 0.07 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.614 0.245 . . . . 9.4900000000000002 110.829 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.532 -0.747 . . . . 12.66 110.233 179.718 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.631 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.943 -0.392 . . . . 6.9500000000000002 109.943 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -76.56 76.21 3.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.31 0.576 . . . . 6.4699999999999998 110.996 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.62 -176.18 3.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.74 -0.664 . . . . 3.3500000000000001 109.833 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tp 58.76 36.6 24.91 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.499 0.666 . . . . 2.4900000000000002 110.253 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.2 168.57 11.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.431 -0.804 . . . . 2.9100000000000001 110.79 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 59' ' ' ALA . 36.5 mt -72.79 101.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.707 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -86.73 119.99 27.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.939 -0.393 . . . . 2.23 109.939 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.8 150.42 47.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 2.52 110.925 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.97 17.7 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.324 -0.853 . . . . 1.04 111.112 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -67.47 96.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.9 0.381 . . . . 3.1899999999999999 110.761 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 32.34 20.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 1.3799999999999999 111.0 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 27' ' ' THR . 45.9 pttt -161.96 173.74 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.363 0.602 . . . . 0.93999999999999995 111.946 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -133.04 130.49 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.98 -1.009 . . . . 0.68999999999999995 108.34 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -137.18 159.85 40.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.393 0.616 . . . . 1.1599999999999999 111.76 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -130.98 120.93 48.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.358 -0.837 . . . . 0.92000000000000004 109.713 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.57 176.9 28.26 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.664 -0.575 . . . . 1.52 111.664 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.07 -57.85 6.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.894 0.378 . . . . 2.6200000000000001 110.632 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -135.57 166.31 23.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.754 -0.657 . . . . 1.6000000000000001 109.66 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.67 -23.95 65.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 2.7200000000000002 110.49 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.52 -22.23 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.347 0.594 . . . . 2.9199999999999999 109.907 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -137.11 63.39 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.682 -0.69 . . . . 2.4500000000000002 109.793 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 144.98 25.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 1.1899999999999999 110.418 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.9 mt -87.48 -22.96 24.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 1.3899999999999999 110.135 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -169.71 145.7 3.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.775 -0.648 . . . . 0.77000000000000002 111.085 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.13 137.32 12.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.18 0.514 . . . . 1.3300000000000001 110.635 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 tt -122.85 132.33 71.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.645 -0.707 . . . . 0.40999999999999998 109.479 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 12' ' ' LYS . 20.6 p -113.58 141.76 46.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.727 0.299 . . . . 0.59999999999999998 110.988 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -133.42 149.44 51.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.55 -0.537 . . . . 0.76000000000000001 109.55 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -136.48 159.67 41.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.927 0.394 . . . . 3.6299999999999999 110.749 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -97.31 109.2 22.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.005 -0.543 . . . . 0.82999999999999996 110.322 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.87 -32.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.945 0.402 . . . . 0.83999999999999997 111.176 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -135.69 -84.04 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 1.74 110.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -152.51 -57.64 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.137 0.494 . . . . 2.7200000000000002 110.521 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.97 17.26 23.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 1.8400000000000001 110.361 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -127.77 126.39 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.514 . . . . 2.25 109.807 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.3 pt -120.56 135.09 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.186 0.517 . . . . 0.53000000000000003 110.462 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 p-10 -113.34 140.79 47.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 1.8200000000000001 110.598 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -83.64 113.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 0.68999999999999995 109.534 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.37 -56.73 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 2.4700000000000002 110.398 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.669 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 8.1 p-80 -156.59 160.31 39.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 2.1200000000000001 111.496 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -134.33 96.82 3.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.426 -0.806 . . . . 0.72999999999999998 109.458 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -103.25 116.17 5.37 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.624 -0.798 . . . . 0.69999999999999996 112.707 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.79 ' HB ' H142 ' A' ' 103' ' ' ACO . 59.9 t -126.87 136.85 59.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.151 -0.314 . . . . 0.93000000000000005 110.151 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -79.26 95.45 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.679 0.752 . . . . 1.8300000000000001 109.668 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.95 -20.08 59.84 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.963 -1.017 . . . . 3.1200000000000001 111.241 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.8 66.32 3.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 3.7999999999999998 111.375 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.7 mt 55.59 35.19 24.69 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.768 -0.651 . . . . 4.4699999999999998 111.827 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.21 -67.38 0.7 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.556 -0.83 . . . . 3.8599999999999999 111.617 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.57 98.18 0.4 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 121.074 -0.584 . . . . 3.0499999999999998 111.812 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -98.79 125.76 44.24 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.673 -0.31 . . . . 3.4399999999999999 110.573 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.31 -26.51 15.1 Favored Glycine 0 CA--C 1.517 0.219 0 C-N-CA 121.119 -0.562 . . . . 1.1100000000000001 112.672 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.81 -25.63 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.888 0.329 . . . . 1.1399999999999999 111.888 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.11 96.57 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.895 -0.669 . . . . 0.58999999999999997 111.782 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -75.74 -36.89 59.78 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.93 0.395 . . . . 2.02 110.05 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.91 -44.8 95.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.697 -0.683 . . . . 2.5699999999999998 111.174 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 56' ' ' LEU . 19.6 mt -67.09 -44.25 80.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.85999999999999999 111.405 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD22 ' SD ' ' A' ' 81' ' ' MET . 34.8 tp -62.61 -37.48 86.42 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.693 -0.484 . . . . 1.29 109.693 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.63 -36.31 83.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.784 -0.644 . . . . 1.3899999999999999 110.669 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -59.77 -43.15 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.54 . . . . 0.56000000000000005 110.311 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.89 -47.87 66.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.621 -0.718 . . . . 0.44 110.528 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.24 -42.82 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.53000000000000003 111.473 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.0 tt0 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.76 110.11 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.409 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.3 t60 -63.41 -33.14 74.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.06 -0.518 . . . . 1.04 109.679 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.42 -35.93 78.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.594 -0.73 . . . . 0.84999999999999998 110.097 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -66.56 -41.14 89.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.585 -0.524 . . . . 3.1200000000000001 109.585 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 35.2 mt-10 -60.93 -55.77 29.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.924 -0.58 . . . . 1.8200000000000001 111.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -83.02 -1.67 53.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 1.3999999999999999 112.443 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 59.44 39.75 21.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.048 0.451 . . . . 2.1800000000000002 110.638 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.53 159.99 21.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.152 -0.476 . . . . 0.78000000000000003 111.047 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -91.98 138.86 31.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.009 -0.738 . . . . 3.0499999999999998 109.009 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 64' ' ' ALA . 30.5 mm -107.61 130.14 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.548 . . . . 0.85999999999999999 112.358 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -143.31 158.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.034 -1.098 . . . . 0.98999999999999999 108.034 177.381 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.34 35.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.958 -0.464 . . . . 0.5 111.936 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 m -85.55 -40.26 16.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.93999999999999995 110.16 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.669 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 85.0 m -74.35 129.83 38.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.524 . . . . 1.3100000000000001 110.972 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -32.86 69.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.062 -0.517 . . . . 1.1200000000000001 111.224 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' CZ ' H143 ' A' ' 103' ' ' ACO . 63.9 t80 -60.83 -59.67 5.01 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.726 0.298 . . . . 0.94999999999999996 110.447 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.89 85.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.5 110.759 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.5 tttm -61.74 -50.17 73.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 1.27 110.107 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -63.19 -31.57 72.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 1.21 110.04 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.405 ' SD ' HD22 ' A' ' 57' ' ' LEU . 25.9 ttt -66.36 -41.81 88.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.51 110.071 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.61 -31.38 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.742 -0.663 . . . . 0.57999999999999996 110.417 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 41.8 mt-10 -78.71 -31.74 46.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 1.46 110.812 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -73.64 -48.04 35.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 2.3300000000000001 110.087 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.52 92.32 8.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.174 -0.676 . . . . 1.6000000000000001 109.174 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.56 -9.64 4.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.579 -0.737 . . . . 2.6600000000000001 112.09 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.89 -22.27 66.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.792 0.33 . . . . 1.46 110.973 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -99.85 0.59 41.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.683 0.278 . . . . 1.0 110.715 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.21 -15.92 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 2.4199999999999999 111.882 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -67.77 -37.45 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 2.4399999999999999 110.579 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.11 -26.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.87 111.269 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -76.01 147.06 39.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.678 -0.49 . . . . 1.1399999999999999 109.678 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.7 mt -76.82 67.52 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 1.4199999999999999 110.793 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -83.37 4.31 81.84 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.938 -0.573 . . . . 3.6400000000000001 112.289 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -30.24 65.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.077 0.465 . . . . 6.5 110.339 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -101.77 121.38 41.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 5.1500000000000004 110.189 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -155.03 39.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.929 -0.578 . . . . 5.8799999999999999 110.116 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -61.16 123.43 17.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 6.29 110.566 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.4 t60 62.68 70.61 0.55 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.796 0.685 . . . . 10.4 110.909 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -100.99 82.54 2.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.676 -0.693 . . . . 10.369999999999999 109.814 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -141.23 99.54 3.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.962 -0.563 . . . . 9.4900000000000002 110.902 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.554 -0.736 . . . . 12.66 109.725 179.592 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.79 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.721 0.296 . . . . 6.9500000000000002 110.321 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -85.61 58.55 5.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.33 0.586 . . . . 6.4699999999999998 110.356 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -116.16 152.82 32.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.638 -0.71 . . . . 3.3500000000000001 110.634 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.82 -104.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.181 -0.463 . . . . 2.4900000000000002 110.133 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 66.22 133.88 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.781 0.676 . . . . 2.9100000000000001 111.63 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.1 mt -80.39 99.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 1.0 109.804 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -89.19 138.66 31.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 2.23 109.627 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -112.49 135.5 53.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.039 0.447 . . . . 2.52 110.267 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.4 151.42 12.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.843 -0.617 . . . . 1.04 111.729 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 41.99 43.46 2.69 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.047 0.939 . . . . 3.1899999999999999 112.75 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 54.3 m-80 58.55 47.28 13.58 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.303 0.573 . . . . 1.3799999999999999 110.486 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.561 ' HB2' HG22 ' A' ' 27' ' ' THR . 19.2 ttpt -154.1 132.76 12.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.609 -0.723 . . . . 0.93999999999999995 111.302 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -103.33 118.71 37.38 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.68999999999999995 107.512 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -134.26 146.05 49.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.308 0.575 . . . . 1.1599999999999999 112.26 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.41 HD12 HG12 ' A' ' 52' ' ' VAL . 17.7 mt -110.63 119.64 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.115 -0.948 . . . . 0.92000000000000004 109.423 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.49 165.79 26.47 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.675 -0.774 . . . . 1.52 112.093 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -75.65 -32.27 60.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 2.6200000000000001 110.548 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 1.2 t70 -136.89 151.65 49.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.6000000000000001 110.266 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.7 -48.47 66.58 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.536 0.569 . . . . 2.7200000000000002 112.536 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.01 -26.08 60.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.288 0.566 . . . . 2.9199999999999999 110.559 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 22.9 m-80 -94.73 29.98 2.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.624 -0.716 . . . . 2.4500000000000002 110.78 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.1 115.82 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.001 -0.545 . . . . 1.1899999999999999 110.163 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.079 -0.51 . . . . 1.3899999999999999 109.945 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -152.03 136.14 16.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.902 -0.59 . . . . 0.77000000000000002 110.185 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -147.47 145.61 29.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.194 0.521 . . . . 1.3300000000000001 111.275 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -130.05 131.4 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.46 -0.941 . . . . 0.40999999999999998 108.46 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.561 HG22 ' HB2' ' A' ' 12' ' ' LYS . 14.0 p -112.71 140.92 47.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.794 0.33 . . . . 0.59999999999999998 111.695 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 39.6 p90 -145.18 147.39 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 0.76000000000000001 109.719 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 29' ' ' ARG . 48.3 mtm180 -129.12 144.28 51.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.716 0.293 . . . . 3.6299999999999999 111.042 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.837 -0.62 . . . . 0.82999999999999996 109.419 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -79.32 -31.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.916 -0.584 . . . . 0.83999999999999997 111.915 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -148.11 47.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 1.74 111.283 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t30 60.7 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.228 0.611 . . . . 2.7200000000000002 112.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 5.5 m120 -82.22 28.59 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.122 0.487 . . . . 1.8400000000000001 111.253 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -151.87 120.24 6.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.646 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 pt -116.33 134.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.24 0.543 . . . . 0.53000000000000003 111.005 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.3 t30 -103.95 120.39 40.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.618 -0.719 . . . . 1.8200000000000001 110.53 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.3 mt -81.01 119.63 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.293 -0.632 . . . . 0.68999999999999995 109.293 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.55 -63.8 1.26 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.581 -0.736 . . . . 2.4700000000000002 111.867 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -144.66 165.85 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 2.1200000000000001 112.176 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -137.98 107.09 6.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.977 -1.01 . . . . 0.72999999999999998 109.077 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.62 123.34 6.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.69999999999999996 112.236 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.59 133.69 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.655 0.264 . . . . 0.93000000000000005 110.491 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -94.69 117.44 30.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 1.8300000000000001 110.241 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -136.11 110.78 8.65 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.907 -0.588 . . . . 3.1200000000000001 110.363 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.01 15.05 17.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.45 0.643 . . . . 3.7999999999999998 109.613 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.4 mt -114.3 -45.43 3.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.536 -0.756 . . . . 4.4699999999999998 110.449 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.7 58.38 0.6 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.838 -0.619 . . . . 3.8599999999999999 111.728 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.05 25.59 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.569 -0.824 . . . . 3.0499999999999998 112.876 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -86.3 93.09 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.75 -0.463 . . . . 3.4399999999999999 109.75 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.38 45.76 2.9 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.951 -0.642 . . . . 1.1100000000000001 113.016 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 52' ' ' VAL . 1.4 t -69.88 -38.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 1.1399999999999999 110.043 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.89 -28.82 73.28 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.58999999999999997 112.097 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HE2' ' O7A' ' A' ' 103' ' ' ACO . 9.6 mttm -66.55 -37.49 85.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.028 -0.36 . . . . 2.02 110.028 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.42 -40.66 81.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.119 0.485 . . . . 2.5699999999999998 110.193 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.07 -49.99 72.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 0.85999999999999999 110.662 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 tp -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 1.29 110.329 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -47.67 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.3899999999999999 109.876 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.0 96.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.56000000000000005 110.575 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.41 -52.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.951 -0.568 . . . . 0.44 110.843 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG11 ' CD1' ' A' ' 88' ' ' TYR . 69.2 t -61.36 -45.19 99.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.204 -0.453 . . . . 0.53000000000000003 110.746 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 30.0 tt0 -58.46 -52.57 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.818 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.35 -40.72 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 1.04 110.8 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.34 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.84999999999999998 110.803 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -61.03 -36.83 80.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.336 -0.393 . . . . 3.1200000000000001 111.171 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.7 mt-10 -65.53 -29.11 69.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 1.8200000000000001 111.513 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -107.46 13.1 27.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 1.3999999999999999 111.619 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.8 t30 55.48 38.17 29.88 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.381 0.61 . . . . 2.1800000000000002 111.238 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 34' ' ' ASN . 31.6 mt -92.0 143.57 26.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.015 -0.539 . . . . 0.78000000000000003 109.911 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.782 ' HB3' HD22 ' A' ' 93' ' ' LEU . 26.4 mtmt -94.18 146.59 23.89 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.19 -0.67 . . . . 3.0499999999999998 109.19 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -116.24 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 112.85 0.685 . . . . 0.85999999999999999 112.85 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.511 HG23 HD21 ' A' ' 93' ' ' LEU . 1.2 pt -126.63 104.81 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.959 -1.019 . . . . 0.98999999999999999 109.035 177.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.23 39.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.811 0.339 . . . . 0.5 111.594 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 m -87.26 -21.07 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.215 0.531 . . . . 0.93999999999999995 110.13 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.541 ' HB3' HH31 ' A' ' 103' ' ' ACO . 0.0 OUTLIER -79.04 127.5 32.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 1.3100000000000001 109.682 179.297 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.71 -38.28 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 1.1200000000000001 111.815 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.14 -55.78 16.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.94999999999999996 111.158 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.5 111.311 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -62.47 -41.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.27 110.225 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.64 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 1.21 110.542 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 84.1 mtp -68.99 -37.99 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 1.51 110.298 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.759 -0.655 . . . . 0.57999999999999996 111.621 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -76.63 -26.34 54.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.46 -0.336 . . . . 1.46 111.239 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -69.17 -34.29 74.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 2.3300000000000001 111.247 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -96.45 119.33 34.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.052 0.454 . . . . 1.6000000000000001 111.004 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.76 -37.87 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.565 -0.743 . . . . 2.6600000000000001 111.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -69.7 -25.53 63.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.142 -0.481 . . . . 1.46 111.75 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.497 ' CD1' HG11 ' A' ' 61' ' ' VAL . 11.9 m-30 -84.92 -18.11 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.42 . . . . 1.0 110.498 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.31 -10.14 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 2.4199999999999999 111.332 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.63 -41.23 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 2.4399999999999999 110.504 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.47 -25.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.87 110.936 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -76.16 130.32 38.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.1399999999999999 110.359 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 70' ' ' LYS . 1.8 pt? -123.24 -35.87 2.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.102 -0.499 . . . . 1.4199999999999999 110.355 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.64 -122.17 24.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.09 -0.576 . . . . 3.6400000000000001 112.464 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.74 131.13 52.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 6.5 110.489 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -68.43 -41.58 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.729 -0.669 . . . . 5.1500000000000004 110.689 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -133.71 148.21 51.43 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.485 -0.78 . . . . 5.8799999999999999 109.303 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.61 110.99 1.1 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 6.29 110.166 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -109.32 143.49 38.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.301 -0.408 . . . . 10.4 110.908 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -81.32 136.03 35.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.088 -0.708 . . . . 10.369999999999999 109.088 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -64.97 161.91 17.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 9.4900000000000002 111.285 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.707 -0.663 . . . . 12.66 110.343 -179.654 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ACO . . . . . 0.541 HH31 ' HB3' ' A' ' 75' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.852 -0.425 . . . . 2.9100000000000001 109.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.82 103.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 1.0 110.573 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.9 mmmm -86.87 135.34 33.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.825 -0.625 . . . . 2.23 109.705 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.0 138.42 38.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.234 0.54 . . . . 2.52 110.296 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.93 -160.35 10.26 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 110.871 -0.892 . . . . 1.04 110.871 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.18 89.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.188 -0.301 . . . . 3.1899999999999999 110.188 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 52.64 44.99 29.5 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.541 -0.754 . . . . 1.3799999999999999 110.143 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.426 ' CB ' HG22 ' A' ' 27' ' ' THR . 35.1 pttt -155.1 166.54 33.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.93999999999999995 111.258 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -128.77 135.9 49.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.835 -0.802 . . . . 0.68999999999999995 108.835 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 12.2 p90 -150.93 155.28 38.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.126 0.489 . . . . 1.1599999999999999 111.0 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 131.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.92000000000000004 109.287 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.68 -160.6 31.73 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.489 -0.862 . . . . 1.52 112.532 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.15 -38.46 16.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 2.6200000000000001 110.433 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -150.06 168.46 23.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.451 -0.795 . . . . 1.6000000000000001 109.149 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.87 -42.74 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 2.7200000000000002 110.459 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -78.4 -38.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.765 -0.652 . . . . 2.9199999999999999 110.649 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.37 44.38 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.742 -0.663 . . . . 2.4500000000000002 110.689 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.68 41.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.402 -0.817 . . . . 1.1899999999999999 110.066 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -83.88 -38.46 21.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.211 0.529 . . . . 1.3899999999999999 109.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.37 127.47 17.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.755 . . . . 0.77000000000000002 109.651 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -135.31 130.61 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.978 0.418 . . . . 1.3300000000000001 111.402 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.34 128.55 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.40999999999999998 109.272 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 p -116.77 148.08 41.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.59999999999999998 111.628 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 41.6 p90 -140.37 164.45 30.09 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.199 -0.667 . . . . 0.76000000000000001 109.199 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.24 149.56 29.55 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 3.6299999999999999 111.036 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -84.64 104.48 14.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.698 -0.683 . . . . 0.82999999999999996 109.595 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 m -76.96 -41.13 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.144 -0.48 . . . . 0.83999999999999997 112.235 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -123.02 -85.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.886 -0.326 . . . . 1.74 111.819 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -130.66 -56.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.377 0.51 . . . . 2.7200000000000002 112.377 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.54 10.82 9.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.867 0.365 . . . . 1.8400000000000001 111.237 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.87 124.58 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 2.25 110.85 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -108.23 122.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.521 -0.763 . . . . 0.53000000000000003 109.921 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 38.7 t30 -99.61 128.56 45.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.157 -0.474 . . . . 1.8200000000000001 111.559 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.2 mt -105.92 108.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.154 -0.684 . . . . 0.68999999999999995 109.154 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.71 -35.79 5.65 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.947 -0.301 . . . . 2.4700000000000002 111.751 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 44.7 t60 -106.73 127.07 53.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.496 0.665 . . . . 2.1200000000000001 111.623 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -149.79 110.06 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.286 -0.87 . . . . 0.72999999999999998 109.16 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.41 133.6 7.43 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.018 -1.086 . . . . 0.69999999999999996 112.714 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.34 146.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.928 -0.767 . . . . 0.93000000000000005 108.928 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.32 -0.712 0 C-N-CA 120.948 -0.301 . . . . 1.8300000000000001 110.226 179.751 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.389 -0.284 . . . . 1.1100000000000001 112.389 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t -58.89 -33.96 51.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.406 . . . . 1.1399999999999999 110.8 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.96 -32.47 80.12 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.836 -0.62 . . . . 0.58999999999999997 112.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -66.51 -42.87 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.938 0.399 . . . . 2.02 110.119 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.74 -40.68 88.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.811 -0.631 . . . . 2.5699999999999998 111.033 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.68 -50.46 73.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.837 0.351 . . . . 0.85999999999999999 110.468 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 61' ' ' VAL . 23.2 tp -63.72 -41.72 98.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.29 110.508 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.95 -44.43 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 1.3899999999999999 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.56000000000000005 111.12 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.0 -47.57 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.44 110.002 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.2 t -61.81 -44.83 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.53000000000000003 111.031 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -58.78 -48.54 80.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.997 -0.547 . . . . 1.76 110.892 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 14.7 t60 -68.71 -31.05 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.555 . . . . 1.04 111.038 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.4 -44.48 87.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.84999999999999998 110.479 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.589 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 8.4 tpt180 -62.74 -34.79 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.365 -0.38 . . . . 3.1200000000000001 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.0 mt-10 -63.23 -47.83 80.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.8200000000000001 111.79 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -95.02 11.24 32.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.182 0.438 . . . . 1.3999999999999999 112.182 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.2 t30 59.29 37.79 23.45 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.401 0.62 . . . . 2.1800000000000002 111.369 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.4 mt -82.51 158.01 23.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.78000000000000003 110.644 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -107.2 131.32 54.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.895 -0.78 . . . . 3.0499999999999998 108.895 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mt -103.12 128.61 55.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.85999999999999999 112.355 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.3 pt -134.46 143.67 37.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.436 -1.256 . . . . 0.98999999999999999 107.754 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.41 125.4 24.31 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.655 -0.818 . . . . 0.5 112.992 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -88.44 -19.1 26.97 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.727 -1.212 . . . . 0.93999999999999995 107.727 176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 77' ' ' PHE . 34.8 t -70.16 115.99 10.0 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.395 -1.275 . . . . 1.3100000000000001 110.4 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -59.49 -27.65 66.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.427 -0.352 . . . . 1.1200000000000001 111.089 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' HB3' ' SG ' ' A' ' 75' ' ' CYS . 74.7 t80 -74.01 -59.61 2.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.94999999999999996 110.915 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.39 79.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.5 111.377 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 60.7 tttm -59.84 -46.57 88.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 1.27 110.353 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 64.7 t60 -64.66 -31.33 72.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.257 -0.429 . . . . 1.21 111.068 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 49.1 mtp -67.37 -37.09 82.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 1.51 109.623 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.77 -32.51 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.452 -0.794 . . . . 0.57999999999999996 109.997 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 78.8 mt-10 -66.61 -36.53 82.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.406 0.622 . . . . 1.46 109.811 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -70.34 -50.18 41.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.123 -0.944 . . . . 2.3300000000000001 111.038 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.51 94.75 9.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.173 -0.467 . . . . 1.6000000000000001 110.78 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.56 -26.36 66.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 2.6600000000000001 110.618 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.27 68.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 1.46 111.661 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -90.56 -6.16 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 1.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -82.24 32.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.246 0.546 . . . . 2.4199999999999999 111.22 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.589 ' OD2' ' HD3' ' A' ' 65' ' ' ARG . 13.9 p-10 -106.0 -42.91 4.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.9 -0.778 . . . . 2.4399999999999999 108.9 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 m -98.88 -21.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.409 0.623 . . . . 0.87 109.603 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -85.14 136.1 33.69 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.4 -0.818 . . . . 1.1399999999999999 109.17 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 69.5 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.266 0.555 . . . . 1.4199999999999999 111.514 -179.374 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.981 0.42 . . . . 2.9100000000000001 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -80.09 98.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.816 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -87.87 114.39 24.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.129 -0.487 . . . . 2.23 110.068 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -75.57 142.53 42.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 2.52 111.598 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.6 -168.07 12.05 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.476 -1.049 . . . . 1.04 110.476 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.48 95.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.331 0.566 . . . . 3.1899999999999999 110.475 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.71 39.76 23.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.971 -0.558 . . . . 1.3799999999999999 110.39 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.535 ' HB3' HG22 ' A' ' 27' ' ' THR . 62.6 pttt -163.48 177.05 9.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.217 0.532 . . . . 0.93999999999999995 112.099 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -138.11 137.11 37.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.861 -1.163 . . . . 0.68999999999999995 107.861 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -144.08 156.13 44.24 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.4 -0.52 . . . . 1.1599999999999999 111.416 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.94 118.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.92000000000000004 109.756 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.42 174.39 28.07 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 111.355 -0.698 . . . . 1.52 111.355 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -70.91 -55.26 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.925 0.393 . . . . 2.6200000000000001 110.813 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -125.63 156.45 39.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.933 -0.576 . . . . 1.6000000000000001 109.458 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.87 -33.54 70.6 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.042 0.214 . . . . 2.7200000000000002 111.399 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.97 -16.42 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.244 0.545 . . . . 2.9199999999999999 110.94 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -125.4 36.55 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 2.4500000000000002 110.102 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 113.63 13.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.573 -0.74 . . . . 1.1899999999999999 110.725 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.55 -38.6 81.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.3899999999999999 109.665 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -144.78 137.87 26.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.065 -0.97 . . . . 0.77000000000000002 109.988 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -143.69 130.08 19.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.874 0.369 . . . . 1.3300000000000001 110.967 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -122.54 140.1 47.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.129 -0.693 . . . . 0.40999999999999998 109.129 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -122.79 148.12 45.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.77 -0.196 . . . . 0.59999999999999998 110.996 -179.152 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -140.34 139.49 35.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.804 -0.443 . . . . 0.76000000000000001 109.804 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.27 158.43 41.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.511 -0.313 . . . . 3.6299999999999999 110.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -92.87 109.4 20.83 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.381 -0.372 . . . . 0.82999999999999996 110.309 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.22 -35.86 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.045 0.45 . . . . 0.83999999999999997 110.449 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.3 -80.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.74 110.2 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -161.93 -50.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 2.7200000000000002 110.387 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -101.61 13.79 33.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.488 0.661 . . . . 1.8400000000000001 110.079 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.09 130.92 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 2.25 110.412 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 pt -121.74 130.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 0.53000000000000003 110.704 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.3 p-10 -106.88 139.65 40.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.878 -0.601 . . . . 1.8200000000000001 110.505 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.42 113.69 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.781 -0.645 . . . . 0.68999999999999995 109.478 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.18 -72.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.424 -0.807 . . . . 2.4700000000000002 110.707 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -139.17 155.29 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 2.1200000000000001 110.954 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -134.45 93.18 3.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.794 -0.639 . . . . 0.72999999999999998 109.877 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.79 97.44 1.78 Allowed Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.399 -0.905 . . . . 0.69999999999999996 112.254 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG13 ' HB2' ' A' ' 24' ' ' ALA . 2.9 t -108.52 162.96 6.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.536 -0.542 . . . . 0.93000000000000005 109.536 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 121.056 0.455 . . . . 1.8300000000000001 111.024 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 112.314 -0.314 . . . . 1.1100000000000001 112.314 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.93 -49.44 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.121 0.486 . . . . 1.1399999999999999 110.872 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.38 -38.36 94.87 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.913 -0.66 . . . . 0.58999999999999997 112.562 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HE3' ' SD ' ' A' ' 81' ' ' MET . 20.4 mtpt -65.03 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.644 0.259 . . . . 2.02 110.598 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.68 -43.58 98.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 2.5699999999999998 110.66 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.47 -42.05 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.85999999999999999 110.472 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 81' ' ' MET . 1.3 mt -64.22 -37.82 88.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.29 110.048 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.86 78.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.873 -0.603 . . . . 1.3899999999999999 110.468 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.32 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.56000000000000005 110.632 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.8 t -69.5 -43.74 80.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.77 -0.65 . . . . 0.44 109.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.7 t -62.98 -35.86 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 0.53000000000000003 109.94 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.1 tp10 -62.84 -47.39 83.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.057 -0.52 . . . . 1.76 109.882 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.411 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 6.5 t60 -64.76 -33.5 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 1.04 109.772 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.26 83.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.651 -0.704 . . . . 0.84999999999999998 109.948 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.3 mtt-85 -75.62 -32.53 60.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 3.1200000000000001 110.302 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 58.2 mt-10 -63.46 -47.05 83.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 1.8200000000000001 111.946 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.488 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 6.6 m120 -103.44 2.51 33.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.006 0.373 . . . . 1.3999999999999999 112.006 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 61.12 46.36 8.22 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.109 0.48 . . . . 2.1800000000000002 111.111 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -89.27 159.48 17.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.725 -0.67 . . . . 0.78000000000000003 111.261 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -93.2 134.53 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.101 -0.703 . . . . 3.0499999999999998 109.101 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 mm -102.0 124.95 56.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.229 0.538 . . . . 0.85999999999999999 111.757 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -135.89 149.44 27.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.086 -1.079 . . . . 0.98999999999999999 108.086 177.292 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.71 138.7 52.87 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.506 -0.477 . . . . 0.5 112.147 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -95.35 -30.06 14.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.783 -0.644 . . . . 0.93999999999999995 110.031 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 151.55 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 1.3100000000000001 111.121 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -54.22 29.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 1.1200000000000001 111.959 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -56.53 -49.82 73.65 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.917 0.34 . . . . 0.94999999999999996 111.917 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.46 -49.5 72.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.5 110.633 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 32.1 tttm -63.63 -44.82 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 1.27 110.699 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.472 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 35.6 t60 -58.69 -37.37 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 1.21 111.533 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.717 ' HG2' HD13 ' A' ' 57' ' ' LEU . 42.4 tpp -65.65 -42.57 91.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 1.51 109.915 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -66.06 -30.26 70.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.375 -0.829 . . . . 0.57999999999999996 110.931 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 72.6 mt-10 -70.81 -32.32 69.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 1.46 110.556 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -84.65 -48.48 9.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.924 -0.58 . . . . 2.3300000000000001 111.853 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.44 105.65 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.113 0.483 . . . . 1.6000000000000001 110.867 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.825 -0.625 . . . . 2.6600000000000001 111.203 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -27.7 69.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 1.46 111.296 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -81.01 -24.09 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.489 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.67 -10.17 49.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.331 -0.395 . . . . 2.4199999999999999 110.797 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.18 -35.01 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.226 0.536 . . . . 2.4399999999999999 109.846 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.8 -28.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.87 110.874 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.465 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 16.6 t80 -77.72 134.01 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.1399999999999999 110.329 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 1.4199999999999999 110.082 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 15' ' ' ILE . 5.7 mm-40 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.889 0.376 . . . . 2.9100000000000001 110.941 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.69 96.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 125.13 36.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.588 -0.523 . . . . 2.23 109.588 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -91.76 146.18 23.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.255 0.55 . . . . 2.52 110.937 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.3 -164.72 11.53 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.312 -1.115 . . . . 1.04 110.312 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.65 93.55 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.295 0.547 . . . . 3.1899999999999999 110.027 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 54.43 42.75 31.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.688 -0.687 . . . . 1.3799999999999999 110.454 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -158.14 168.08 28.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.93999999999999995 110.712 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.489 ' HB3' HD22 ' A' ' 56' ' ' LEU . 77.6 m-85 -134.22 139.5 45.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.824 -0.806 . . . . 0.68999999999999995 108.824 178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -152.99 149.55 28.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.183 0.516 . . . . 1.1599999999999999 111.643 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 5' ' ' GLU . 63.8 mt -135.15 132.92 53.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.267 -0.879 . . . . 0.92000000000000004 109.197 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.67 -148.73 9.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.403 -0.903 . . . . 1.52 112.407 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.68 -25.95 14.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.185 0.517 . . . . 2.6200000000000001 110.818 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -163.8 172.09 14.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 1.6000000000000001 109.489 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -53.07 -42.46 65.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 2.7200000000000002 110.728 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.39 -25.14 25.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.188 0.518 . . . . 2.9199999999999999 110.307 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.47 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 2.4500000000000002 109.802 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.18 108.33 15.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.523 -0.762 . . . . 1.1899999999999999 110.733 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -65.79 -40.35 91.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 1.3899999999999999 109.925 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.38 121.6 26.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.488 -0.778 . . . . 0.77000000000000002 109.58 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -133.38 128.46 35.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.0 0.428 . . . . 1.3300000000000001 110.867 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.4 tt -129.27 117.71 44.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.537 -0.756 . . . . 0.40999999999999998 109.117 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.81 139.87 46.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.59999999999999998 111.189 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.6 173.74 11.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.938 -0.574 . . . . 0.76000000000000001 110.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.02 155.45 27.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.12 -0.326 . . . . 3.6299999999999999 110.12 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -82.56 115.45 21.54 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.308 -0.626 . . . . 0.82999999999999996 109.308 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.52 -41.74 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.424 -0.353 . . . . 0.83999999999999997 111.256 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -126.27 -86.99 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.749 -0.381 . . . . 1.74 111.447 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.76 -59.32 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.478 0.547 . . . . 2.7200000000000002 112.478 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -112.86 3.79 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.065 -0.254 . . . . 1.8400000000000001 111.51 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -99.69 124.86 45.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.009 0.433 . . . . 2.25 111.374 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pt -108.49 121.62 61.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.618 -0.719 . . . . 0.53000000000000003 109.556 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.7 t30 -105.68 124.21 49.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 1.8200000000000001 111.455 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.8 mt -81.01 121.68 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.017 -0.734 . . . . 0.68999999999999995 109.017 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.02 -49.71 6.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.339 -0.392 . . . . 2.4700000000000002 111.888 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -129.71 146.89 51.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.417 0.627 . . . . 2.1200000000000001 111.557 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -144.74 102.94 3.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.093 -0.958 . . . . 0.72999999999999998 109.24 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.53 122.04 5.23 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.711 -0.757 . . . . 0.69999999999999996 112.256 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -129.05 142.06 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 110.36 -0.237 . . . . 0.93000000000000005 110.36 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.856 0.836 . . . . 1.8300000000000001 109.764 178.648 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.57 0 N-CA-C 111.743 -0.543 . . . . 1.1100000000000001 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.34 -46.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.1399999999999999 110.948 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.88 98.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.923 -0.656 . . . . 0.58999999999999997 112.294 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -66.53 -34.02 76.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 2.02 110.818 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -39.19 73.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.428 -0.351 . . . . 2.5699999999999998 110.628 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' PHE . 9.9 mt -64.32 -42.62 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.677 -0.49 . . . . 0.85999999999999999 109.677 178.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.26 -35.12 80.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 1.29 109.517 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -62.56 -41.51 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.509 -0.768 . . . . 1.3899999999999999 110.119 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.35 90.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.56000000000000005 110.287 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.42 -43.76 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.44 109.972 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.484 HG21 ' CG ' ' A' ' 88' ' ' TYR . 63.9 t -62.82 -48.41 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.671 . . . . 0.53000000000000003 111.074 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -44.49 96.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 1.76 110.52 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.506 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 55.1 t60 -66.81 -32.18 73.29 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.958 -0.564 . . . . 1.04 110.718 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.84999999999999998 110.079 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -61.08 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 3.1200000000000001 110.696 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.506 ' OE2' ' HA ' ' A' ' 63' ' ' HIS . 44.0 mt-10 -58.1 -50.18 74.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.8200000000000001 111.333 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -100.97 14.45 31.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 1.3999999999999999 112.206 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.24 43.06 29.83 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.559 0.695 . . . . 2.1800000000000002 110.879 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -90.42 155.15 19.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.447 -0.797 . . . . 0.78000000000000003 110.821 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.0 mptt -109.97 134.16 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.43 -0.952 . . . . 3.0499999999999998 108.43 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.8 mt -100.84 139.42 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 112.937 0.717 . . . . 0.85999999999999999 112.937 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -144.22 157.23 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.215 -1.357 . . . . 0.98999999999999999 107.398 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.68 139.66 26.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.062 -0.655 . . . . 0.5 112.746 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -87.04 -35.39 18.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.552 -0.749 . . . . 0.93999999999999995 109.199 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 124.43 23.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.665 -0.698 . . . . 1.3100000000000001 109.621 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 m -55.14 -38.5 68.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.264 0.468 . . . . 1.1200000000000001 112.264 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.28 -55.27 33.82 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.34 -0.144 . . . . 0.94999999999999996 111.089 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.48 96.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.5 110.938 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HG2' ' OH ' ' A' ' 92' ' ' TYR . 6.6 tmtm? -61.1 -45.12 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 1.27 110.059 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 81.4 t60 -73.32 -24.08 60.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 1.21 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -52.72 44.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.773 0.32 . . . . 1.51 110.512 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.04 -26.89 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 0.57999999999999996 110.122 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 27.3 tt0 -72.12 -38.56 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.986 -1.007 . . . . 1.46 110.812 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.48 -44.55 19.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 2.3300000000000001 110.7 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -74.07 101.5 3.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 1.6000000000000001 110.74 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.46 -26.94 68.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 2.6600000000000001 110.783 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -67.59 -15.98 63.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 1.46 111.919 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.484 ' CG ' HG21 ' A' ' 61' ' ' VAL . 19.3 m-30 -108.56 2.61 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 1.0 110.901 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.93 11.56 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.154 0.427 . . . . 2.4199999999999999 112.154 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.53 -25.67 21.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 2.4399999999999999 110.642 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.62 -4.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.87 111.009 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.531 ' OH ' ' HG2' ' A' ' 79' ' ' LYS . 22.9 t80 -91.11 133.49 35.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.466 . . . . 1.1399999999999999 109.774 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.206 -0.452 . . . . 1.4199999999999999 111.09 -179.604 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 42.7 mt-10 . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 121.284 0.564 . . . . 2.9100000000000001 111.711 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -81.03 84.21 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -72.86 126.64 30.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 2.23 109.867 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -109.71 126.08 53.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.049 0.452 . . . . 2.52 110.375 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.11 149.51 17.26 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.647 -0.706 . . . . 1.04 111.929 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 44.69 42.5 5.9 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.968 0.907 . . . . 3.1899999999999999 112.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 60.1 38.62 20.34 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.358 0.599 . . . . 1.3799999999999999 110.81 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -142.79 134.17 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.633 -0.712 . . . . 0.93999999999999995 110.835 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -100.52 115.01 29.12 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.331 -0.989 . . . . 0.68999999999999995 108.331 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -134.13 128.73 34.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.669 0.747 . . . . 1.1599999999999999 112.13 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 17.2 mt -91.36 119.75 39.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.127 -0.942 . . . . 0.92000000000000004 109.263 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.8 161.33 23.72 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.546 -0.835 . . . . 1.52 112.189 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.6 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.334 0.588 . . . . 2.6200000000000001 110.991 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -157.31 156.98 33.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.813 -0.63 . . . . 1.6000000000000001 109.585 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.22 -43.11 74.2 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.063 0.394 . . . . 2.7200000000000002 112.063 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -87.45 4.5 43.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.12 0.486 . . . . 2.9199999999999999 110.567 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.7 m-80 -115.07 20.04 15.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.721 -0.672 . . . . 2.4500000000000002 109.935 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 109.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 1.1899999999999999 110.847 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.77 -38.26 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.931 -0.577 . . . . 1.3899999999999999 109.785 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.62 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -145.62 126.86 14.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.77000000000000002 110.164 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.7 147.79 41.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.353 0.597 . . . . 1.3300000000000001 112.05 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.9 tt -131.31 132.47 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 0.40999999999999998 108.559 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -113.17 136.32 52.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.209 0.528 . . . . 0.59999999999999998 112.304 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -136.15 138.76 42.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.76000000000000001 109.402 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.2 mtm105 -125.46 141.69 51.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 3.6299999999999999 111.042 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.95 95.77 5.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.597 -0.729 . . . . 0.82999999999999996 109.604 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.71 -28.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.536 -0.302 . . . . 0.83999999999999997 110.925 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -144.3 33.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 1.74 110.993 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 67.85 -66.37 0.22 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.911 -0.586 . . . . 2.7200000000000002 111.533 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.437 ' HA ' HD22 ' A' ' 69' ' ' LEU . 2.3 m120 -90.45 18.79 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.18 0.514 . . . . 1.8400000000000001 110.003 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -138.54 115.37 10.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.303 -0.862 . . . . 2.25 109.209 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.31 124.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 0.53000000000000003 110.767 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.4 t30 -105.8 118.48 36.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.625 . . . . 1.8200000000000001 110.799 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.91 116.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.791 -0.818 . . . . 0.68999999999999995 108.791 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -78.74 -59.33 2.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 2.4700000000000002 111.591 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -141.19 167.86 21.16 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.522 -0.471 . . . . 2.1200000000000001 111.664 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -144.48 109.45 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.72999999999999998 109.97 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.37 93.45 0.66 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.847 -0.692 . . . . 0.69999999999999996 111.567 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 t -99.82 150.74 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.763 0.316 . . . . 0.93000000000000005 111.309 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 1.8300000000000001 110.356 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 N-CA-C 112.651 -0.18 . . . . 1.1100000000000001 112.651 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.17 -34.65 57.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.943 0.401 . . . . 1.1399999999999999 110.895 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.58 -29.47 75.26 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.8 -0.714 . . . . 0.58999999999999997 112.205 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 18.9 mttt -68.03 -39.74 83.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.946 -0.39 . . . . 2.02 109.946 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -42.66 99.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 2.5699999999999998 110.381 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.06 -45.35 77.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 0.85999999999999999 110.807 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.31 -39.1 92.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.29 110.335 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -60.78 -38.34 84.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 1.3899999999999999 110.421 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.33 97.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.56000000000000005 110.452 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.62 -47.03 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.44 110.14 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.59 -41.97 89.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 116.068 -0.515 . . . . 0.53000000000000003 110.842 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -60.31 -53.61 55.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.719 -0.673 . . . . 1.76 110.933 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 2.8 t60 -66.14 -32.7 74.3 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.802 -0.635 . . . . 1.04 111.247 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.25 -47.71 81.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.84999999999999998 111.102 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -62.57 -36.01 81.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.655 -0.248 . . . . 3.1200000000000001 111.14 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.565 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 52.2 mt-10 -58.26 -40.52 82.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.8200000000000001 111.496 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.69 8.8 33.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.33 -0.395 . . . . 1.3999999999999999 112.017 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.32 54.34 7.78 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.704 0.764 . . . . 2.1800000000000002 110.319 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 34' ' ' ASN . 33.8 mt -99.25 138.51 36.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.371 -0.831 . . . . 0.78000000000000003 110.924 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 93' ' ' LEU . 36.3 mtmt -82.82 132.26 35.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.932 -0.766 . . . . 3.0499999999999998 108.932 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.2 mt -105.8 128.46 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.378 0.609 . . . . 0.85999999999999999 112.558 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 2.3 pt -136.39 139.95 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.892 -1.049 . . . . 0.98999999999999999 108.538 178.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.92 138.97 53.38 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.799 -0.36 . . . . 0.5 111.447 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -94.84 -28.82 15.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.157 0.503 . . . . 0.93999999999999995 110.317 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 132.28 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.595 -0.73 . . . . 1.3100000000000001 110.341 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -36.35 76.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 1.1200000000000001 111.776 -179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -65.96 -57.34 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.94999999999999996 111.16 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.5 111.027 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -62.28 -40.84 97.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.566 . . . . 1.27 110.093 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -65.92 -37.08 85.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 1.21 110.387 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 36.7 mtp -68.55 -43.18 77.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.454 . . . . 1.51 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.91 -35.28 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.57999999999999996 110.249 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -78.86 -20.93 48.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.46 111.23 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -82.49 -50.51 8.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.668 0.271 . . . . 2.3300000000000001 111.114 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.01 115.27 23.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.835 0.35 . . . . 1.6000000000000001 111.167 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.62 -32.13 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 2.6600000000000001 111.37 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -34.56 77.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 1.46 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -88.8 -28.94 20.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.239 0.542 . . . . 1.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 9.8 tt0 -62.36 -19.47 63.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.443 -0.799 . . . . 2.4199999999999999 111.654 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.68 -49.13 72.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.732 0.301 . . . . 2.4399999999999999 111.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 91' ' ' VAL . 2.4 m -87.62 -12.4 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.87 111.318 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 39.1 t80 -85.07 94.88 8.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.409 0.623 . . . . 1.1399999999999999 109.697 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.605 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.586 -0.734 . . . . 1.4199999999999999 110.373 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.718 0.294 . . . . 2.9100000000000001 110.408 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.61 HD13 ' HB2' ' A' ' 59' ' ' ALA . 18.1 mt -77.42 97.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.312 0.577 . . . . 1.0 109.95 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -81.41 123.89 28.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.623 -0.717 . . . . 2.23 110.436 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.28 142.54 45.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 2.52 110.672 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.3 -168.49 11.31 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.297 -0.721 . . . . 1.04 111.297 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.37 87.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 3.1899999999999999 111.229 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.23 39.48 30.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.554 0.693 . . . . 1.3799999999999999 110.089 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 27' ' ' THR . 59.3 pttt -156.69 171.63 20.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.01 -0.996 . . . . 0.93999999999999995 110.91 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -130.31 127.76 40.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.548 -0.908 . . . . 0.68999999999999995 108.548 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -136.0 146.72 47.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.678 -0.409 . . . . 1.1599999999999999 111.131 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -125.44 121.1 59.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.859 -0.61 . . . . 0.92000000000000004 109.778 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.76 -179.61 35.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.488 -0.645 . . . . 1.52 111.488 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.92 -49.36 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.031 0.443 . . . . 2.6200000000000001 110.743 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.76 164.26 27.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.714 -0.676 . . . . 1.6000000000000001 109.779 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.45 -23.93 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.313 . . . . 2.7200000000000002 111.198 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -88.42 -23.31 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.42 0.628 . . . . 2.9199999999999999 109.325 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -120.86 51.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.336 -0.847 . . . . 2.4500000000000002 109.242 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.35 148.04 22.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 1.1899999999999999 111.186 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 mt -74.99 -37.98 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.754 -0.832 . . . . 1.3899999999999999 108.754 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.508 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -172.17 145.2 1.72 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.165 -0.925 . . . . 0.77000000000000002 110.662 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -142.3 140.98 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.486 . . . . 1.3300000000000001 110.584 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -121.35 136.62 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.912 -0.585 . . . . 0.40999999999999998 109.752 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 12' ' ' LYS . 7.9 p -119.77 145.69 46.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.242 -0.435 . . . . 0.59999999999999998 110.289 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.53 153.63 46.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.739 0.304 . . . . 0.76000000000000001 110.408 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -135.3 158.97 43.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.123 -0.49 . . . . 3.6299999999999999 110.395 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -96.6 110.08 22.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.539 -0.541 . . . . 0.82999999999999996 109.539 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.1 m -78.73 -23.25 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.195 0.522 . . . . 0.83999999999999997 110.821 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -141.72 -88.73 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.764 -0.653 . . . . 1.74 109.275 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -151.47 -54.81 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 2.7200000000000002 110.575 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -102.0 12.6 36.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.316 0.579 . . . . 1.8400000000000001 110.305 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -122.38 121.06 35.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 2.25 110.234 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 pt -117.14 131.3 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.435 . . . . 0.53000000000000003 110.785 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -111.07 140.08 45.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.843 -0.617 . . . . 1.8200000000000001 110.05 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.38 114.35 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.13 -0.693 . . . . 0.68999999999999995 109.13 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -74.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 2.4700000000000002 110.75 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -137.66 156.79 47.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 2.1200000000000001 110.922 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.14 97.0 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.72999999999999998 110.795 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.78 119.91 5.89 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.49 -0.862 . . . . 0.69999999999999996 110.972 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 24' ' ' ALA . 27.1 t -128.99 137.98 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.647 0.26 . . . . 0.93000000000000005 110.732 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 109.895 -0.409 . . . . 1.8300000000000001 109.895 178.449 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 CA-C-O 120.14 -0.255 . . . . 1.1100000000000001 113.354 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 24' ' ' ALA . 20.3 t -58.33 -45.4 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.909 0.355 . . . . 1.1399999999999999 111.411 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -42.82 87.95 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.042 -0.599 . . . . 0.58999999999999997 112.711 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -69.66 -35.06 74.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 2.02 110.552 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -65.22 -35.12 80.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 2.5699999999999998 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 24' ' ' ALA . 96.1 mt -63.13 -53.28 55.9 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.85999999999999999 110.321 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.42 -30.65 71.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.724 -0.671 . . . . 1.29 110.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.85 -47.53 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 1.3899999999999999 110.176 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -61.28 -41.69 97.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.033 0.444 . . . . 0.56000000000000005 111.008 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.98 -47.13 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.44 110.152 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 73.4 t -63.35 -41.16 91.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.53000000000000003 110.373 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.9 mt-10 -58.48 -52.54 65.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.417 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.496 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.0 t60 -62.67 -31.76 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 1.04 110.52 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.2 -32.32 72.47 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.84999999999999998 110.049 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 35.5 mmt180 -74.75 -34.0 62.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.246 0.546 . . . . 3.1200000000000001 109.937 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 44.2 mt-10 -69.96 -50.6 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.531 -0.759 . . . . 1.8200000000000001 111.695 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -93.55 -4.4 51.05 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.362 0.505 . . . . 1.3999999999999999 112.362 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 62.91 44.26 6.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.098 0.475 . . . . 2.1800000000000002 110.533 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.01 153.25 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.511 -0.768 . . . . 0.78000000000000003 110.911 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.92 139.05 30.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.119 -0.697 . . . . 3.0499999999999998 109.119 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 38.7 mm -104.0 120.67 54.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.365 0.602 . . . . 0.85999999999999999 112.211 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -126.09 135.84 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.885 -1.154 . . . . 0.98999999999999999 107.885 177.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.4 120.62 38.14 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.871 0.693 . . . . 0.5 112.871 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -94.92 -32.27 13.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.333 -0.849 . . . . 0.93999999999999995 109.001 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 10.7 t -72.79 126.54 30.15 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.314 -0.857 . . . . 1.3100000000000001 109.858 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -43.14 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.525 0.565 . . . . 1.1200000000000001 112.525 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -60.43 -55.2 36.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.94999999999999996 111.532 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.94 97.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.5 111.044 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -60.12 -41.18 92.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 1.27 110.51 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -65.11 -35.35 80.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 1.21 111.4 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.4 mtp -77.92 -43.33 30.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.815 0.341 . . . . 1.51 111.133 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 88' ' ' TYR . 25.1 mt -66.5 -28.51 68.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.57999999999999996 111.397 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.531 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 10.6 tt0 -85.29 -17.38 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.04 -0.527 . . . . 1.46 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -88.17 -53.62 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 2.3300000000000001 111.198 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -69.7 129.13 38.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 1.6000000000000001 110.939 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -63.22 -44.14 96.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.612 -0.722 . . . . 2.6600000000000001 111.314 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -29.5 70.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 1.46 111.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.536 ' HB3' HD23 ' A' ' 82' ' ' LEU . 10.9 m-30 -81.97 -28.79 32.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.484 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.531 ' NE2' ' HA ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -69.05 -14.23 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 2.4199999999999999 111.053 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -78.24 -34.94 48.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.172 -0.467 . . . . 2.4399999999999999 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -36.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.87 110.79 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 8.6 t80 -80.49 131.95 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.89 -0.595 . . . . 1.1399999999999999 110.23 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.29 0.567 . . . . 1.4199999999999999 110.983 -179.561 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.844 -0.428 . . . . 2.9100000000000001 109.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.0 mt -76.92 104.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.567 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -88.07 117.95 27.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.279 -0.637 . . . . 2.23 109.279 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -88.6 124.06 33.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.863 -0.608 . . . . 2.52 112.157 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.4 -173.05 19.02 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 109.463 -1.455 . . . . 1.04 109.463 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.94 101.04 1.04 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.952 0.876 . . . . 3.1899999999999999 111.032 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 39.3 m-80 63.17 38.75 10.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.081 -0.963 . . . . 1.3799999999999999 111.353 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -163.15 153.91 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.93999999999999995 111.399 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -126.43 128.07 46.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.355 -0.98 . . . . 0.68999999999999995 108.355 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -136.57 147.9 47.25 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.317 -0.553 . . . . 1.1599999999999999 111.654 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.492 HG13 HD21 ' A' ' 56' ' ' LEU . 91.2 mt -122.2 124.03 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.558 -0.746 . . . . 0.92000000000000004 109.863 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.52 166.56 29.62 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.161 -0.776 . . . . 1.52 111.161 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -72.47 -28.27 62.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.917 0.358 . . . . 2.6200000000000001 110.449 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -140.93 161.2 38.39 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 1.6000000000000001 109.713 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -66.07 -37.61 86.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 2.7200000000000002 110.872 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -73.92 -29.52 62.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 2.9199999999999999 110.097 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -102.71 44.71 1.0 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.216 0.531 . . . . 2.4500000000000002 110.366 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 105.71 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 1.1899999999999999 109.948 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.79 -40.01 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 1.3899999999999999 110.575 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -149.11 144.24 26.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.85 -0.614 . . . . 0.77000000000000002 109.904 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -151.29 149.93 29.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.052 0.453 . . . . 1.3300000000000001 110.979 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.36 135.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.511 -0.768 . . . . 0.40999999999999998 109.097 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -114.69 139.47 49.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.724 0.297 . . . . 0.59999999999999998 111.035 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.4 p90 -138.57 162.94 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.544 -0.539 . . . . 0.76000000000000001 109.544 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -161.34 145.45 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.767 0.318 . . . . 3.6299999999999999 111.102 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -80.34 103.41 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.82999999999999996 110.06 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 m -90.67 -15.97 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.256 -0.429 . . . . 0.83999999999999997 111.051 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -137.37 -163.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.157 -0.682 . . . . 1.74 109.157 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -65.27 -43.56 90.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.559 0.218 . . . . 2.7200000000000002 111.056 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 34' ' ' ASN . 4.6 m120 -138.85 24.6 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.687 0.279 . . . . 1.8400000000000001 110.844 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 58.2 mt-10 -107.52 124.16 49.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.798 0.332 . . . . 2.25 110.641 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pt -110.0 123.16 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.53000000000000003 110.439 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 20.2 t-20 -102.8 130.0 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.915 -0.584 . . . . 1.8200000000000001 110.993 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.44 115.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.835 -0.621 . . . . 0.68999999999999995 109.407 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -72.84 -68.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.321 -0.854 . . . . 2.4700000000000002 111.861 -178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -144.24 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 2.1200000000000001 111.397 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -139.58 113.62 8.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.35 -0.841 . . . . 0.72999999999999998 109.563 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -118.95 127.35 7.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.426 -0.892 . . . . 0.69999999999999996 112.134 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.7 130.25 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.999 -0.371 . . . . 0.93000000000000005 109.999 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.323 -0.58 0 CA-C-O 121.239 0.543 . . . . 1.8300000000000001 110.591 179.549 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 CA-C-O 120.315 -0.158 . . . . 1.1100000000000001 113.166 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.82 -41.43 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.02 0.438 . . . . 1.1399999999999999 110.201 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.14 -32.51 72.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.917 -0.659 . . . . 0.58999999999999997 111.838 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -70.82 -40.77 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.546 -0.539 . . . . 2.02 109.546 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.72 -40.81 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.242 -0.89 . . . . 2.5699999999999998 110.185 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 15' ' ' ILE . 55.8 mt -70.1 -44.28 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.85999999999999999 111.234 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 61' ' ' VAL . 59.9 tp -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.774 0.321 . . . . 1.29 110.304 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 17.1 ttpp -62.49 -38.73 90.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 1.3899999999999999 110.583 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.08 78.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.828 0.347 . . . . 0.56000000000000005 110.861 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.88 -51.44 27.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.078 -0.51 . . . . 0.44 110.423 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.422 HG11 ' CE1' ' A' ' 88' ' ' TYR . 61.6 t -60.18 -38.75 78.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.095 -0.502 . . . . 0.53000000000000003 111.276 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.1 tt0 -57.99 -49.96 75.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.857 -0.61 . . . . 1.76 110.379 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 21.7 t60 -70.67 -30.43 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.787 -0.642 . . . . 1.04 110.699 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -62.65 -47.67 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.84999999999999998 110.018 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -61.66 -36.4 80.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 3.1200000000000001 110.963 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 59.2 mt-10 -61.05 -40.94 95.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 1.8200000000000001 111.598 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -99.76 8.06 44.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.536 -0.302 . . . . 1.3999999999999999 111.518 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.1 m120 57.64 37.92 27.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.411 0.624 . . . . 2.1800000000000002 110.577 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 64' ' ' ALA . 69.0 mt -79.7 156.39 27.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.661 -0.699 . . . . 0.78000000000000003 110.987 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -101.33 132.98 46.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 3.0499999999999998 108.791 178.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 mt -106.3 133.41 50.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.459 0.647 . . . . 0.85999999999999999 112.631 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.637 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.1 pt -135.17 130.3 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.566 -1.272 . . . . 0.98999999999999999 107.566 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.43 124.03 37.49 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.551 0.574 . . . . 0.5 112.551 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 m -87.35 -24.61 24.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.337 -0.986 . . . . 0.93999999999999995 108.337 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 15.8 t -67.86 116.59 8.69 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.673 -1.149 . . . . 1.3100000000000001 109.703 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 1.1200000000000001 111.748 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.44 -53.79 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.94999999999999996 110.744 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.59 93.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.5 110.737 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.746 -0.661 . . . . 1.27 110.304 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -63.64 -41.23 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 1.21 111.767 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.496 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 3.7 ttm -77.72 -32.23 52.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.851 -0.34 . . . . 1.51 111.745 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 ' CD1' ' A' ' 92' ' ' TYR . 26.2 mt -70.17 -37.95 75.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 0.57999999999999996 110.64 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.17 -15.45 47.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.155 -0.475 . . . . 1.46 110.792 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 81' ' ' MET . 12.1 tttm -51.54 -40.91 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.76 -0.654 . . . . 2.3300000000000001 111.239 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.21 141.4 51.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.992 -0.549 . . . . 1.6000000000000001 110.23 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -3.23 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.51 . . . . 2.6600000000000001 110.657 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -68.76 -11.43 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.46 110.792 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CE1' HG11 ' A' ' 61' ' ' VAL . 22.1 m-85 -115.76 11.36 15.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.843 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.51 -24.71 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.929 0.344 . . . . 2.4199999999999999 111.929 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -80.45 -31.19 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.565 -0.454 . . . . 2.4399999999999999 111.102 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.74 -41.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 0.87 111.46 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CD1' HD13 ' A' ' 82' ' ' LEU . 84.0 t80 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.89 0.376 . . . . 1.1399999999999999 110.12 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.321 -0.637 0 CA-C-O 121.113 0.482 . . . . 1.4199999999999999 110.084 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 55.1 mt-10 . . . . . 0 N--CA 1.469 0.475 0 CA-C-O 121.273 0.559 . . . . 2.9100000000000001 111.933 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' HG12 ' A' ' 15' ' ' ILE . 9.5 mt -83.23 81.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.694 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -71.87 128.35 35.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.839 -0.619 . . . . 2.23 109.628 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -109.62 122.08 46.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.243 0.544 . . . . 2.52 110.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.18 145.13 11.49 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.468 -0.787 . . . . 1.04 111.72 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 42.48 48.96 4.64 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.993 0.917 . . . . 3.1899999999999999 112.903 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 57.12 36.71 27.94 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.389 0.614 . . . . 1.3799999999999999 110.774 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 27' ' ' THR . 21.4 ttpt -141.83 129.16 21.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.512 -0.767 . . . . 0.93999999999999995 111.161 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -97.77 110.9 23.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.936 -1.135 . . . . 0.68999999999999995 107.936 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -122.96 119.5 30.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.571 0.7 . . . . 1.1599999999999999 111.279 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 30.9 mt -91.36 112.6 25.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.737 -0.838 . . . . 0.92000000000000004 108.737 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.5 174.4 43.84 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.393 -0.908 . . . . 1.52 112.187 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.88 -13.92 43.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.125 0.488 . . . . 2.6200000000000001 111.146 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -155.37 159.29 39.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.414 -0.357 . . . . 1.6000000000000001 110.593 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -63.81 -27.53 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 2.7200000000000002 110.579 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 4.14 50.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.167 0.508 . . . . 2.9199999999999999 110.218 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -136.52 55.63 1.84 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.822 -0.626 . . . . 2.4500000000000002 110.279 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.08 127.64 36.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.146 -0.479 . . . . 1.1899999999999999 110.295 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.36 -23.26 57.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 1.3899999999999999 109.263 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.49 135.94 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.837 . . . . 0.77000000000000002 110.169 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.6 131.58 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.294 0.569 . . . . 1.3300000000000001 111.467 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.21 129.03 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.844 -0.798 . . . . 0.40999999999999998 108.844 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 12' ' ' LYS . 60.5 p -115.51 136.79 52.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.99 0.424 . . . . 0.59999999999999998 111.457 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -134.73 135.84 42.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.147 -0.686 . . . . 0.76000000000000001 109.147 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -117.98 142.41 47.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.955 0.407 . . . . 3.6299999999999999 111.423 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -83.73 102.51 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.642 -0.708 . . . . 0.82999999999999996 109.851 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 m -88.91 -29.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.74 0.305 . . . . 0.83999999999999997 111.581 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 40.6 t0 -145.46 37.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 1.74 110.276 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 63.23 -73.03 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.471 -0.786 . . . . 2.7200000000000002 112.523 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.418 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 12.8 m120 -80.59 12.85 2.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 1.8400000000000001 110.999 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 5.0 mt-10 -133.64 113.74 12.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.482 -0.562 . . . . 2.25 109.482 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -111.44 123.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.53000000000000003 111.051 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.2 t30 -105.01 122.49 45.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.836 -0.62 . . . . 1.8200000000000001 110.524 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.551 HG22 ' SG ' ' A' ' 75' ' ' CYS . 82.9 mt -74.7 115.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.291 -0.633 . . . . 0.68999999999999995 109.291 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.61 -59.81 2.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 2.4700000000000002 111.219 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -143.96 159.88 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 2.1200000000000001 111.399 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -145.59 105.16 3.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.525 -0.761 . . . . 0.72999999999999998 109.058 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.06 143.33 18.04 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.415 -0.897 . . . . 0.69999999999999996 112.614 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.98 125.27 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.75 -0.463 . . . . 0.93000000000000005 109.75 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 1.8300000000000001 109.537 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' HD3' ' A' ' 54' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.211 0 N-CA-C 113.156 0.022 . . . . 1.1100000000000001 113.156 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.8 m -59.69 -31.11 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.877 0.325 . . . . 1.1399999999999999 111.877 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.56 81.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.926 -0.654 . . . . 0.58999999999999997 112.514 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HD3' ' HA2' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -73.1 -41.51 63.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.259 -0.274 . . . . 2.02 110.259 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -63.53 -34.73 78.43 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.435 . . . . 2.5699999999999998 110.811 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.1 mt -64.06 -52.71 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.835 -0.62 . . . . 0.85999999999999999 110.529 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.95 -37.17 86.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.84 -0.618 . . . . 1.29 110.786 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -39.69 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.3899999999999999 110.424 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.68 94.44 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.224 -0.444 . . . . 0.56000000000000005 110.65 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -49.01 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.92 -0.582 . . . . 0.44 110.458 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.63 -44.81 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.53000000000000003 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.4 -45.97 92.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 1.76 110.765 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -67.34 -38.4 84.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.118 -0.492 . . . . 1.04 110.901 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.85 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.84999999999999998 111.267 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -68.6 -43.52 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.917 0.389 . . . . 3.1200000000000001 110.871 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -74.1 -35.77 64.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 1.8200000000000001 112.121 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -94.42 1.41 55.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.368 0.507 . . . . 1.3999999999999999 112.368 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 54.06 64.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.686 0.755 . . . . 2.1800000000000002 109.801 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.16 138.35 48.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.78000000000000003 111.195 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HB3' HD21 ' A' ' 93' ' ' LEU . 30.5 mtmt -84.99 124.18 31.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.242 -0.89 . . . . 3.0499999999999998 108.947 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.0 mt -95.67 132.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.486 0.66 . . . . 0.85999999999999999 112.393 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.2 pt -139.62 130.03 31.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.895 -1.15 . . . . 0.98999999999999999 107.895 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.29 145.3 48.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.498 0.555 . . . . 0.5 112.498 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -112.59 -8.16 13.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.533 -0.758 . . . . 0.93999999999999995 110.066 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.551 ' SG ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -91.29 136.34 33.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.74 -0.664 . . . . 1.3100000000000001 110.524 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -47.47 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 1.1200000000000001 112.179 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -62.52 -54.69 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.556 -0.293 . . . . 0.94999999999999996 111.764 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.09 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.376 -0.375 . . . . 0.5 111.073 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.67 -46.73 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.27 110.253 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -60.32 -43.42 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 1.21 110.477 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mmm -65.07 -45.1 86.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 1.51 111.574 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 92' ' ' TYR . 33.3 mt -65.55 -37.15 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.384 . . . . 0.57999999999999996 111.002 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -79.44 -15.99 56.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.46 110.797 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -80.89 -52.69 7.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.862 -0.608 . . . . 2.3300000000000001 109.901 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.82 112.26 16.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.616 -0.72 . . . . 1.6000000000000001 110.481 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.34 -32.31 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.013 0.435 . . . . 2.6600000000000001 110.867 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -25.95 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.982 -0.554 . . . . 1.46 111.578 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -89.05 -17.55 29.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 1.0 111.05 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -74.15 -3.22 28.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.577 0.584 . . . . 2.4199999999999999 112.577 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.15 -28.47 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.751 -0.463 . . . . 2.4399999999999999 109.751 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.79 -16.78 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.891 -0.595 . . . . 0.87 110.99 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.495 ' CD1' HD13 ' A' ' 82' ' ' LEU . 64.5 t80 -99.0 128.41 45.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 1.1399999999999999 110.291 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 70' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 116.099 -0.501 . . . . 1.4199999999999999 110.261 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 121.387 0.613 . . . . 2.9100000000000001 111.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.43 96.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -85.44 131.31 34.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.884 -0.598 . . . . 2.23 109.576 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -111.81 128.75 56.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.906 0.384 . . . . 2.52 110.375 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.76 145.51 10.93 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.818 -0.706 . . . . 1.04 112.447 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 39.75 52.8 2.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.216 1.007 . . . . 3.1899999999999999 113.259 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 82.9 m-20 59.14 38.17 23.81 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.953 -0.567 . . . . 1.3799999999999999 111.628 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB2' HG22 ' A' ' 27' ' ' THR . 29.8 ttpt -146.97 136.89 23.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.176 -0.465 . . . . 0.93999999999999995 111.144 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -105.58 117.04 33.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.991 -1.114 . . . . 0.68999999999999995 107.991 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -132.08 136.42 47.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.52 0.676 . . . . 1.1599999999999999 111.563 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.8 mt -104.03 123.04 57.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.302 -0.863 . . . . 0.92000000000000004 109.559 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 165.61 29.04 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.826 -0.625 . . . . 1.52 111.725 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.38 -14.06 58.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.243 0.544 . . . . 2.6200000000000001 110.897 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -155.4 156.59 35.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.834 -0.621 . . . . 1.6000000000000001 109.662 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.81 -39.06 73.47 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.197 0.443 . . . . 2.7200000000000002 112.197 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.69 3.29 51.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.397 0.617 . . . . 2.9199999999999999 110.705 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -118.6 30.06 7.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.394 -0.821 . . . . 2.4500000000000002 109.033 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 101.79 2.28 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.973 -1.012 . . . . 1.1899999999999999 110.197 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.25 -34.17 75.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.772 -0.649 . . . . 1.3899999999999999 110.045 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -143.94 127.19 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.578 -0.737 . . . . 0.77000000000000002 110.008 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -140.66 136.17 32.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.481 0.658 . . . . 1.3300000000000001 111.505 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 tt -124.72 130.76 73.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.276 -0.874 . . . . 0.40999999999999998 108.686 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 12' ' ' LYS . 25.2 p -110.88 135.89 50.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.59999999999999998 111.583 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.7 p90 -134.29 136.68 43.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.334 -0.617 . . . . 0.76000000000000001 109.334 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -117.33 141.96 47.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.399 -0.364 . . . . 3.6299999999999999 111.325 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -82.11 85.87 6.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.891 -0.781 . . . . 0.82999999999999996 108.891 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -74.12 -23.55 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.83999999999999997 112.02 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.77 40.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 1.74 110.519 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 65.8 -68.0 0.13 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.662 -0.699 . . . . 2.7200000000000002 112.028 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 -17.6 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.196 0.522 . . . . 1.8400000000000001 110.242 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -94.97 118.88 32.55 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.801 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 pt -112.37 122.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.194 0.521 . . . . 0.53000000000000003 111.051 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' HA ' HG13 ' A' ' 72' ' ' ILE . 8.5 t30 -103.36 117.07 33.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.597 -0.729 . . . . 1.8200000000000001 111.067 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 73' ' ' ALA . 81.8 mt -74.94 119.4 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.038 -0.727 . . . . 0.68999999999999995 109.038 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.67 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.4700000000000002 111.344 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -144.49 172.7 12.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 2.1200000000000001 111.66 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.7 m -148.34 101.37 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.72999999999999998 109.26 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.08 131.61 10.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.342 -0.933 . . . . 0.69999999999999996 113.153 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -136.89 132.05 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.847 -0.427 . . . . 0.93000000000000005 109.847 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 110.036 -0.357 . . . . 1.8300000000000001 110.036 179.033 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.517 0 N-CA-C 111.751 -0.539 . . . . 1.1100000000000001 111.751 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.4 m -57.52 -36.41 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 122.479 0.312 . . . . 1.1399999999999999 111.38 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.67 99.82 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.819 -0.705 . . . . 0.58999999999999997 111.631 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.82 -34.55 73.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 2.02 109.864 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -36.68 85.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.563 -0.744 . . . . 2.5699999999999998 110.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 52' ' ' VAL . 75.1 mt -61.52 -55.65 28.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.127 -0.488 . . . . 0.85999999999999999 110.764 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.22 -36.84 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.667 . . . . 1.29 111.122 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -42.34 91.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.3899999999999999 110.372 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.28 76.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.56000000000000005 110.621 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.0 -50.23 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.44 110.541 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.41 -38.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 0.53000000000000003 111.203 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -60.84 -55.64 30.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.366 . . . . 1.76 110.521 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -62.64 -36.02 81.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.997 -0.547 . . . . 1.04 110.677 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.09 -51.02 66.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.149 -0.478 . . . . 0.84999999999999998 110.645 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -59.76 -42.26 92.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 3.1200000000000001 111.45 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -65.75 -30.72 71.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.23 0.456 . . . . 1.8200000000000001 112.23 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.31 9.94 35.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.671 0.249 . . . . 1.3999999999999999 111.671 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 55.05 45.16 26.86 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.586 0.707 . . . . 2.1800000000000002 110.759 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' ALA . 68.3 mt -92.32 144.17 25.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.669 . . . . 0.78000000000000003 110.676 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB3' HD22 ' A' ' 93' ' ' LEU . 45.5 mtmt -91.79 128.24 37.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.852 -0.796 . . . . 3.0499999999999998 108.852 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.35 122.12 50.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 113.239 0.829 . . . . 0.85999999999999999 113.239 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.446 HG13 ' HA ' ' A' ' 37' ' ' ASN . 2.9 pt -132.39 118.48 35.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.999 -1.0 . . . . 0.98999999999999999 108.48 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 38' ' ' ILE . . . -105.87 140.01 39.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.978 0.362 . . . . 0.5 111.978 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -92.6 -31.63 15.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.77 -0.65 . . . . 0.93999999999999995 110.012 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 128.43 35.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.738 -0.664 . . . . 1.3100000000000001 110.481 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -60.47 -31.03 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 1.1200000000000001 111.235 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.62 -59.08 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.94999999999999996 110.675 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -36.7 84.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.5 111.003 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 43.8 tttm -59.92 -47.02 87.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 1.27 110.45 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 61.4 t60 -66.07 -31.02 71.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 1.21 111.252 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 mtp -65.06 -36.79 85.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.918 0.39 . . . . 1.51 110.124 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.6 mt -73.01 -20.46 61.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.705 -0.68 . . . . 0.57999999999999996 110.532 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 59.9 mt-10 -84.66 -40.93 16.83 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.53 . . . . 1.46 110.312 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.82 -43.81 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.502 -0.772 . . . . 2.3300000000000001 111.036 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -83.38 110.66 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.056 0.455 . . . . 1.6000000000000001 110.313 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.5 -29.68 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.544 . . . . 2.6600000000000001 111.27 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -68.95 -22.82 64.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.419 . . . . 1.46 110.821 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.46 -29.05 19.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.566 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -59.35 -18.78 41.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.098 -0.501 . . . . 2.4199999999999999 112.119 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.18 -51.68 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.609 0.242 . . . . 2.4399999999999999 111.091 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.8 m -87.27 -23.67 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.87 111.275 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -80.01 124.1 28.41 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.571 -0.529 . . . . 1.1399999999999999 109.571 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.2 pt? . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 116.435 -0.348 . . . . 1.4199999999999999 110.605 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.235 0.323 0 CA-C-O 120.68 0.276 . . . . 2.9100000000000001 110.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 HD11 ' A' ' 15' ' ' ILE . 39.8 mt -60.81 115.88 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -91.47 140.41 29.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.127 -0.488 . . . . 2.23 110.279 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -90.87 142.09 28.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.529 . . . . 2.52 110.349 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.65 14.04 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.448 -0.661 . . . . 1.04 111.448 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.88 95.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.951 0.376 . . . . 3.1899999999999999 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.53 35.37 20.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.61 -0.723 . . . . 1.3799999999999999 110.581 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -159.94 170.89 20.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.582 . . . . 0.93999999999999995 111.586 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -135.11 138.99 44.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.395 -0.965 . . . . 0.68999999999999995 108.395 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -141.09 149.29 41.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.217 0.532 . . . . 1.1599999999999999 111.915 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.569 HD11 HG12 ' A' ' 6' ' ' ILE . 48.9 mt -128.49 128.38 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.241 -0.891 . . . . 0.92000000000000004 109.045 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.9 -163.87 34.44 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.241 -0.98 . . . . 1.52 112.339 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.92 -45.64 85.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.815 0.341 . . . . 2.6200000000000001 111.709 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -161.1 174.13 14.15 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.681 -0.488 . . . . 1.6000000000000001 109.681 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.7 -33.52 75.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.196 -0.668 . . . . 2.7200000000000002 109.196 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.63 -11.8 55.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.668 -0.696 . . . . 2.9199999999999999 110.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -132.69 48.83 2.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.878 -0.601 . . . . 2.4500000000000002 109.958 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 130.96 37.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.146 0.498 . . . . 1.1899999999999999 111.916 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -81.67 -57.59 3.38 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.43 -0.952 . . . . 1.3899999999999999 108.43 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.56 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.135 -0.939 . . . . 0.77000000000000002 109.503 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -147.92 143.3 27.26 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.089 0.471 . . . . 1.3300000000000001 111.036 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.45 HG21 ' HB3' ' A' ' 56' ' ' LEU . 20.5 tt -137.75 129.84 40.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.579 -0.737 . . . . 0.40999999999999998 109.389 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 40' ' ' HIS . 76.4 p -119.11 135.53 54.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.862 0.363 . . . . 0.59999999999999998 110.875 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 22.6 p90 -131.82 110.2 10.66 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.349 -0.611 . . . . 0.76000000000000001 109.349 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 29' ' ' ARG . 6.0 mpt_? -103.99 145.59 29.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.867 -0.606 . . . . 3.6299999999999999 110.45 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -79.75 118.86 21.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.572 -0.74 . . . . 0.82999999999999996 110.936 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.462 HG21 HD11 ' A' ' 72' ' ' ILE . 6.8 m -93.64 -14.52 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.748 -0.834 . . . . 0.83999999999999997 108.748 177.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' A' ' 33' ' ' ASN . 14.0 t70 -152.9 -158.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.357 -1.292 . . . . 1.74 108.182 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 80.4 m-20 -87.3 -40.22 14.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.988 0.423 . . . . 2.7200000000000002 110.692 -179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -118.12 24.96 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.209 -0.45 . . . . 1.8400000000000001 110.789 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.04 127.42 32.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 2.25 110.373 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.5 pt -124.01 150.76 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.53000000000000003 110.976 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -125.4 135.64 52.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 1.8200000000000001 110.617 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 27' ' ' THR . 67.6 mt -99.58 100.43 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.879 -0.786 . . . . 0.68999999999999995 108.879 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 -23.5 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.638 0.607 . . . . 2.4700000000000002 112.638 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.62 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 6.8 m80 -127.24 134.02 50.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.256 0.551 . . . . 2.1200000000000001 112.174 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.43 85.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.115 -0.948 . . . . 0.72999999999999998 108.894 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.87 137.81 12.67 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.529 -0.843 . . . . 0.69999999999999996 112.403 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.62 97.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.382 -0.599 . . . . 0.93000000000000005 109.382 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.316 -0.876 0 CA-C-N 115.864 -0.607 . . . . 1.8300000000000001 109.816 179.826 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 1.1100000000000001 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -76.92 -26.08 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.892 0.377 . . . . 1.1399999999999999 110.733 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.91 -27.56 71.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.886 -0.673 . . . . 0.58999999999999997 111.984 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -64.79 -37.19 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 2.02 110.716 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -74.13 -31.76 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 2.5699999999999998 110.684 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HB3' HG21 ' A' ' 26' ' ' ILE . 84.5 mt -69.13 -50.9 43.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.85999999999999999 110.883 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.67 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.29 110.894 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -58.55 -42.56 88.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 1.3899999999999999 110.99 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.83 95.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.56000000000000005 110.755 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.83 -45.56 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.53 . . . . 0.44 110.273 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.47 -45.29 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.53000000000000003 110.229 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.54 -45.45 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.618 -0.719 . . . . 1.76 110.947 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -64.51 -40.67 96.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.564 . . . . 1.04 110.331 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.14 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.84999999999999998 110.888 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -60.86 -40.06 91.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.901 0.382 . . . . 3.1200000000000001 110.861 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -69.01 -35.05 76.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.443 0.534 . . . . 1.8200000000000001 112.443 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -103.44 9.46 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.21 0.448 . . . . 1.3999999999999999 112.21 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 56.92 56.64 5.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.198 0.523 . . . . 2.1800000000000002 110.685 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.1 mt -112.53 148.09 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.651 -0.704 . . . . 0.78000000000000003 110.631 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HB3' HD11 ' A' ' 93' ' ' LEU . 4.8 mptp? -95.17 137.61 33.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.945 -0.761 . . . . 3.0499999999999998 108.945 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.91 123.56 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.702 0.63 . . . . 0.85999999999999999 112.702 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 31' ' ' VAL . 2.3 pt -124.45 96.13 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.43 -0.805 . . . . 0.98999999999999999 108.834 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.65 117.18 18.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.066 -0.515 . . . . 0.5 111.911 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -85.15 -20.43 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.93999999999999995 109.482 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 139.27 33.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.41 -0.814 . . . . 1.3100000000000001 109.47 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 m -61.15 -45.94 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.875 0.695 . . . . 1.1200000000000001 112.875 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.3 -51.77 68.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.366 0.506 . . . . 0.94999999999999996 112.366 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.81 83.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.5 111.135 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.44 -35.67 81.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 1.27 110.788 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -59.5 -41.69 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.738 -0.665 . . . . 1.21 111.204 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.6 ttm -77.23 -36.83 54.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.435 -0.348 . . . . 1.51 111.102 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 88' ' ' TYR . 84.3 mt -59.71 -40.08 86.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.57999999999999996 111.311 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.54 -15.94 58.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 1.46 111.98 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -89.37 -50.39 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.865 0.364 . . . . 2.3300000000000001 111.065 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.31 120.69 19.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 1.6000000000000001 110.413 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -63.96 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 2.6600000000000001 111.151 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -34.04 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.089 0.471 . . . . 1.46 110.851 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HB3' HD23 ' A' ' 82' ' ' LEU . 9.7 m-30 -77.43 -21.78 52.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.616 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.3 mt-30 -70.52 -5.83 31.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 2.4199999999999999 111.305 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.88 -45.97 47.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.966 -0.561 . . . . 2.4399999999999999 110.45 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.71 -7.19 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.093 0.473 . . . . 0.87 110.954 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.469 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 72.0 t80 -89.07 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 1.1399999999999999 109.931 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 70' ' ' LYS . 5.8 mp . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.398 -0.365 . . . . 1.4199999999999999 111.529 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 121.405 0.621 . . . . 2.9100000000000001 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 mt -78.32 95.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.059 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -88.84 121.89 31.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 2.23 109.453 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -98.18 159.41 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.381 -0.372 . . . . 2.52 110.622 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.55 150.37 5.64 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.78 -0.724 . . . . 1.04 112.416 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 42.48 43.79 3.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.226 1.011 . . . . 3.1899999999999999 113.259 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 61.6 m-20 58.4 41.07 23.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.071 0.462 . . . . 1.3799999999999999 110.815 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -150.99 138.67 19.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.111 -0.495 . . . . 0.93999999999999995 111.33 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -106.82 111.96 24.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.482 -0.933 . . . . 0.68999999999999995 108.482 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.468 0.651 . . . . 1.1599999999999999 111.366 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mt -107.33 121.72 60.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.418 -0.81 . . . . 0.92000000000000004 109.7 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.79 175.39 37.56 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.843 -0.617 . . . . 1.52 111.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.19 -28.52 29.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.1 0.476 . . . . 2.6200000000000001 110.934 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' HD22 ' A' ' 21' ' ' ASN . 21.2 t70 -143.34 158.39 43.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.036 -0.529 . . . . 1.6000000000000001 109.858 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -61.35 -32.88 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.747 -0.206 . . . . 2.7200000000000002 111.337 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -91.82 10.42 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.207 0.527 . . . . 2.9199999999999999 110.489 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.448 HD22 ' HB3' ' A' ' 18' ' ' ASP . 45.0 m-80 -136.45 36.68 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 2.4500000000000002 109.613 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.74 128.17 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.765 -0.652 . . . . 1.1899999999999999 110.667 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -85.56 -22.67 27.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.246 0.546 . . . . 1.3899999999999999 109.801 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.72 136.09 11.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.77000000000000002 110.528 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.85 139.68 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.352 0.596 . . . . 1.3300000000000001 111.743 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 tt -125.48 131.07 72.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.92 -0.77 . . . . 0.40999999999999998 108.92 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -110.12 133.96 52.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.168 0.509 . . . . 0.59999999999999998 111.553 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 24.2 p90 -138.98 126.58 21.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.573 -0.74 . . . . 0.76000000000000001 109.478 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -114.0 143.87 44.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.012 0.434 . . . . 3.6299999999999999 111.868 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -85.19 94.33 8.87 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.243 -1.021 . . . . 0.82999999999999996 108.243 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.9 m -86.2 -20.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 0.83999999999999997 112.357 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -149.57 33.03 0.7 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.74 110.851 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 67.35 -72.65 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.68 -0.691 . . . . 2.7200000000000002 111.444 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.65 23.15 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 1.8400000000000001 110.783 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.81 115.38 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 2.25 109.602 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pt -106.92 122.48 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.171 0.51 . . . . 0.53000000000000003 110.909 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.59 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 34.1 t30 -100.32 117.32 34.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.348 -0.842 . . . . 1.8200000000000001 110.367 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -86.03 117.17 30.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.619 . . . . 0.68999999999999995 109.642 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.04 -60.49 2.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 2.4700000000000002 111.271 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -145.15 165.76 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 2.1200000000000001 111.955 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -137.51 88.83 2.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.162 -0.926 . . . . 0.72999999999999998 109.032 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.57 102.63 2.86 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.683 -0.77 . . . . 0.69999999999999996 112.186 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.501 HG21 ' HA2' ' A' ' 53' ' ' GLY . 42.4 t -122.25 131.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 110.313 -0.254 . . . . 0.93000000000000005 110.313 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.424 0.631 . . . . 1.8300000000000001 109.961 178.775 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.254 -0.192 . . . . 1.1100000000000001 112.7 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.78 -43.58 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 122.472 0.309 . . . . 1.1399999999999999 111.136 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 43' ' ' VAL . . . -65.3 -41.63 96.57 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.826 -0.702 . . . . 0.58999999999999997 112.421 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -68.55 -38.66 80.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.345 0.593 . . . . 2.02 109.916 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.109 -0.95 . . . . 2.5699999999999998 111.244 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.1 mt -61.62 -47.9 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.85999999999999999 110.878 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.06 -38.38 90.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 1.29 110.703 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -44.92 86.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.772 -0.649 . . . . 1.3899999999999999 110.515 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.84 78.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.56000000000000005 111.076 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 56' ' ' LEU . 50.2 t -69.25 -50.86 48.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.44 110.314 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 88' ' ' TYR . 94.1 t -57.76 -42.15 81.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.991 -0.549 . . . . 0.53000000000000003 111.002 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 5.3 mt-10 -57.67 -55.42 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.76 110.876 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.97 -35.47 80.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 1.04 110.433 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.11 -52.08 66.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.84999999999999998 110.734 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.67 -32.01 72.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 3.1200000000000001 111.083 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 54.7 mt-10 -68.5 -27.43 66.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 1.8200000000000001 111.292 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -111.37 11.97 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.164 -0.471 . . . . 1.3999999999999999 111.662 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 57.82 31.64 20.79 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.676 0.75 . . . . 2.1800000000000002 110.754 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 64' ' ' ALA . 39.0 mt -81.57 128.6 34.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.78000000000000003 110.367 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.747 ' HB3' HD22 ' A' ' 93' ' ' LEU . 28.3 mtmt -82.86 139.78 33.27 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.57 -0.9 . . . . 3.0499999999999998 108.57 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -108.64 127.66 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 112.958 0.725 . . . . 0.85999999999999999 112.958 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -130.68 105.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.718 -1.128 . . . . 0.98999999999999999 108.881 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.72 135.04 37.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.909 0.385 . . . . 0.5 111.559 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.8 m -87.7 -22.77 24.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.554 . . . . 0.93999999999999995 109.833 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 132.94 36.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.3100000000000001 110.672 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -43.2 94.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.106 -0.497 . . . . 1.1200000000000001 111.332 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.18 -53.8 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 0.94999999999999996 111.098 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.95 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.5 111.106 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -62.25 -39.93 94.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.528 . . . . 1.27 110.411 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 80.8 t60 -65.15 -38.22 89.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 1.21 110.719 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.8 mmm -64.5 -38.74 92.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.231 0.538 . . . . 1.51 110.086 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.1 mt -68.91 -37.0 78.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.352 -0.84 . . . . 0.57999999999999996 111.402 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 10.1 pt-20 -78.55 -17.45 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.802 0.334 . . . . 1.46 110.765 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -79.99 -55.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 2.3300000000000001 110.775 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 85' ' ' GLU . 1.2 tp10 -75.64 130.15 38.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.352 -0.385 . . . . 1.6000000000000001 111.021 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.5 -41.48 96.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 2.6600000000000001 110.717 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -30.02 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 1.46 110.905 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.405 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.5 m-30 -77.17 -34.91 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.237 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.64 -16.28 62.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.124 -0.489 . . . . 2.4199999999999999 111.677 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.24 -47.99 74.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.361 . . . . 2.4399999999999999 110.234 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.77 -25.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.154 -0.475 . . . . 0.87 111.315 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -77.27 118.08 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.798 -0.445 . . . . 1.1399999999999999 109.798 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.773 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.318 -0.763 0 CA-C-N 116.094 -0.503 . . . . 1.4199999999999999 110.551 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.887 -0.412 . . . . 2.9100000000000001 109.887 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' A' ' 55' ' ' LYS . 45.7 mt -73.92 95.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.995 0.426 . . . . 1.0 111.119 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -82.58 124.07 29.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.397 -0.594 . . . . 2.23 109.397 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -101.66 128.42 47.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.203 0.525 . . . . 2.52 110.647 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.94 -159.83 11.18 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.206 -0.906 . . . . 1.04 111.278 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.28 92.64 0.02 OUTLIER 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.773 0.429 . . . . 3.1899999999999999 111.318 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 52.29 46.55 26.45 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.747 -0.66 . . . . 1.3799999999999999 110.964 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -165.29 158.19 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.93999999999999995 111.343 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -123.57 134.17 53.86 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.576 -0.898 . . . . 0.68999999999999995 108.576 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -144.11 146.47 32.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.049 0.452 . . . . 1.1599999999999999 111.295 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.632 HG13 HD21 ' A' ' 56' ' ' LEU . 86.4 mt -130.57 125.99 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.79 -0.641 . . . . 0.92000000000000004 109.597 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.43 -173.42 46.23 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.421 -0.895 . . . . 1.52 112.283 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -77.57 -34.69 53.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.343 0.592 . . . . 2.6200000000000001 110.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -148.11 168.95 21.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.293 -0.867 . . . . 1.6000000000000001 109.283 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.8 -40.28 79.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.997 0.427 . . . . 2.7200000000000002 110.091 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -85.77 -24.27 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 2.9199999999999999 110.07 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -95.73 40.31 1.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 2.4500000000000002 109.886 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 124.42 27.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.747 -0.66 . . . . 1.1899999999999999 110.388 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.27 -24.13 43.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.626 0.727 . . . . 1.3899999999999999 109.451 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.18 133.71 7.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.726 -1.125 . . . . 0.77000000000000002 109.376 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -145.21 132.89 20.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.957 0.408 . . . . 1.3300000000000001 111.229 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.58 127.45 70.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.793 -0.639 . . . . 0.40999999999999998 109.533 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 p -115.58 148.07 40.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.602 -0.272 . . . . 0.59999999999999998 111.213 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 37.3 p90 -142.84 161.6 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.602 -0.518 . . . . 0.76000000000000001 109.602 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.89 157.04 43.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.718 0.294 . . . . 3.6299999999999999 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -88.44 120.37 29.75 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.52 -0.548 . . . . 0.82999999999999996 109.52 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.4 m -90.23 -37.99 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.83999999999999997 111.647 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -132.0 -81.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.926 -0.31 . . . . 1.74 111.483 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.21 -78.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.013 0.375 . . . . 2.7200000000000002 112.013 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 89.8 m-20 -105.85 3.15 28.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.03 0.443 . . . . 1.8400000000000001 110.787 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -86.39 118.45 25.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.907 -0.588 . . . . 2.25 110.666 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -108.03 123.11 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.113 -0.494 . . . . 0.53000000000000003 110.503 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.7 t30 -98.05 127.45 44.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.84 -0.618 . . . . 1.8200000000000001 112.016 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.76 106.26 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 107.796 -1.187 . . . . 0.68999999999999995 107.796 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 0.3 OUTLIER -104.64 -34.54 8.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.632 0.604 . . . . 2.4700000000000002 112.632 -177.608 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -115.11 135.25 54.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.381 0.61 . . . . 2.1200000000000001 111.939 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -150.34 111.06 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.126 -0.943 . . . . 0.72999999999999998 109.208 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.05 127.3 6.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.67 -0.776 . . . . 0.69999999999999996 112.22 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -135.87 134.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.012 -0.366 . . . . 0.93000000000000005 110.012 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.548 . . . . 1.8300000000000001 109.781 179.132 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 112.034 -0.426 . . . . 1.1100000000000001 112.034 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 t -62.26 -50.75 78.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 1.1399999999999999 110.603 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -33.52 86.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.906 -0.664 . . . . 0.58999999999999997 112.191 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -70.67 -40.57 72.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 2.02 110.124 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.7 ttpt -67.18 -34.94 78.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 2.5699999999999998 109.788 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.632 HD21 HG13 ' A' ' 15' ' ' ILE . 28.6 mt -64.82 -47.86 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 0.85999999999999999 109.828 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.21 -34.04 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 1.29 110.008 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.16 -42.74 95.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 1.3899999999999999 109.849 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.5 92.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.56000000000000005 110.101 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.51 -48.05 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.94 -0.573 . . . . 0.44 109.782 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.39 -41.22 91.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 115.852 -0.613 . . . . 0.53000000000000003 110.612 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 1.9 tp10 -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.049 -0.523 . . . . 1.76 110.167 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -64.39 -30.33 71.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.836 -0.62 . . . . 1.04 111.179 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.78 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.84999999999999998 110.286 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.51 -34.44 77.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 3.1200000000000001 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.5 mt-10 -66.79 -30.64 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 1.8200000000000001 111.796 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -110.85 8.27 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.079 0.399 . . . . 1.3999999999999999 112.079 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.9 t30 57.32 39.16 28.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.659 0.742 . . . . 2.1800000000000002 110.359 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 77.4 mt -86.76 152.89 22.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.476 -0.783 . . . . 0.78000000000000003 110.877 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.6 mptt -108.69 121.95 46.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.854 -0.795 . . . . 3.0499999999999998 108.854 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mt -87.33 127.2 40.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.352 0.596 . . . . 0.85999999999999999 112.055 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.6 pt -133.29 91.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.961 -1.018 . . . . 0.98999999999999999 108.707 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.25 122.77 32.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.574 0.583 . . . . 0.5 112.574 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 m -92.04 -23.68 19.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.93999999999999995 108.818 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 7.1 t -63.87 124.98 22.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.265 -0.88 . . . . 1.3100000000000001 109.194 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -44.53 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.376 0.51 . . . . 1.1200000000000001 112.376 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.84 -51.52 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.94999999999999996 111.146 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.2 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.5 110.939 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.36 -46.27 89.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 1.27 110.414 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.27 -42.88 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 1.21 111.591 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.8 ttp -74.72 -37.85 62.45 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.736 -0.386 . . . . 1.51 111.239 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -41.08 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.419 -0.355 . . . . 0.57999999999999996 111.199 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -76.74 -26.93 55.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.726 -0.472 . . . . 1.46 109.726 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -70.03 -45.86 66.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 2.3300000000000001 110.106 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.03 98.42 11.26 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.632 -0.713 . . . . 1.6000000000000001 110.237 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.45 -28.27 65.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.143 0.497 . . . . 2.6600000000000001 110.664 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -27.3 68.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.598 -0.728 . . . . 1.46 111.958 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -92.04 -2.73 56.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.68 0.276 . . . . 1.0 111.435 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -80.22 7.05 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.234 0.457 . . . . 2.4199999999999999 112.234 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.62 -25.12 38.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.203 -0.666 . . . . 2.4399999999999999 109.203 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 m -119.35 -22.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.87 110.079 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -89.16 131.27 35.37 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.002 -0.74 . . . . 1.1399999999999999 109.002 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 111.931 0.345 . . . . 1.4199999999999999 111.931 -178.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 . . . . . 0 N--CA 1.447 -0.614 0 N-CA-C 109.945 -0.391 . . . . 2.9100000000000001 109.945 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -68.42 102.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -86.42 132.45 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.512 -0.551 . . . . 2.23 109.512 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -87.43 137.02 32.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.095 0.474 . . . . 2.52 110.745 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.38 -167.21 12.17 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.205 -0.758 . . . . 1.04 111.205 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.56 97.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.832 0.316 . . . . 3.1899999999999999 111.154 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.49 36.11 27.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.663 -0.698 . . . . 1.3799999999999999 110.905 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 51.1 pttt -163.1 173.0 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.93999999999999995 111.753 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -128.92 138.41 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.403 -0.962 . . . . 0.68999999999999995 108.403 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -152.23 154.97 36.84 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.664 -0.415 . . . . 1.1599999999999999 111.442 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.6 mt -127.15 136.64 60.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 0.92000000000000004 109.386 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.58 169.2 12.56 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.033 -0.603 . . . . 1.52 111.619 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.06 -59.81 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.32 . . . . 2.6200000000000001 110.983 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.59 162.78 25.67 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.364 -0.606 . . . . 1.6000000000000001 109.364 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -60.8 -39.85 90.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.554 0.216 . . . . 2.7200000000000002 111.442 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.01 -32.03 73.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.117 0.484 . . . . 2.9199999999999999 111.168 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -111.34 27.26 9.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 2.4500000000000002 110.64 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.03 129.85 41.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.561 . . . . 1.1899999999999999 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.41 -42.07 98.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.433 -0.58 . . . . 1.3899999999999999 109.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -159.01 145.71 17.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.77000000000000002 110.666 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -146.17 146.21 30.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.015 0.436 . . . . 1.3300000000000001 110.473 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 16.7 tt -133.63 133.18 57.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.40999999999999998 109.386 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 p -111.19 140.88 45.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.646 0.26 . . . . 0.59999999999999998 111.253 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.2 p90 -136.41 150.56 48.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.76000000000000001 110.437 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -142.12 160.95 39.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 3.6299999999999999 110.488 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -91.26 109.37 20.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.82999999999999996 109.873 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 35' ' ' GLU . 6.6 m -76.67 -25.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.83999999999999997 110.459 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.32 -79.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.928 -0.578 . . . . 1.74 110.078 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -158.93 -56.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 2.7200000000000002 110.484 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -99.73 19.04 16.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.8400000000000001 109.923 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 31' ' ' VAL . 1.7 mt-10 -131.98 126.41 33.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.887 -0.597 . . . . 2.25 110.409 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 pt -120.22 133.53 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.948 0.404 . . . . 0.53000000000000003 110.464 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.6 p-10 -108.09 144.13 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.979 -0.555 . . . . 1.8200000000000001 110.957 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -91.44 101.21 12.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.912 -0.773 . . . . 0.68999999999999995 108.912 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -55.48 -63.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 2.4700000000000002 111.462 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -145.06 164.18 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.076 0.465 . . . . 2.1200000000000001 111.156 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -142.33 117.99 10.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.532 -0.758 . . . . 0.72999999999999998 109.287 179.289 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.47 135.33 8.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.527 -0.844 . . . . 0.69999999999999996 112.503 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 24' ' ' ALA . 38.4 t -132.66 142.85 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.93000000000000005 109.443 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.323 -0.58 0 N-CA-C 110.068 -0.345 . . . . 1.8300000000000001 110.068 179.716 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' HA2' ' HE3' ' A' ' 54' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.231 0 N-CA-C 113.531 0.172 . . . . 1.1100000000000001 113.531 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 t -61.15 -52.24 63.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 1.1399999999999999 111.042 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.11 -29.61 74.94 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.871 -0.68 . . . . 0.58999999999999997 112.459 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 21.4 mtmt -73.54 -29.79 62.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 2.02 110.52 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -67.71 -37.1 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 2.5699999999999998 109.814 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.91 -48.46 76.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.597 -0.728 . . . . 0.85999999999999999 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.02 -35.87 76.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.649 -0.705 . . . . 1.29 110.808 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.15 -47.31 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 1.3899999999999999 110.477 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.7 94.14 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.564 . . . . 0.56000000000000005 111.271 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.08 -52.09 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.561 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 88' ' ' TYR . 71.7 t -62.92 -38.09 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.53000000000000003 110.713 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 16.3 mt-10 -59.14 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.445 -0.343 . . . . 1.76 110.368 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.563 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.7 t60 -63.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.452 . . . . 1.04 110.256 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.62 -29.3 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.84999999999999998 110.122 178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -75.51 -35.33 60.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 3.1200000000000001 109.915 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.563 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 45.0 mt-10 -72.41 -48.68 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.344 -0.844 . . . . 1.8200000000000001 111.609 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.423 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 11.0 m120 -92.33 -1.38 57.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.148 0.425 . . . . 1.3999999999999999 112.148 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 60.98 38.01 17.73 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.953 0.406 . . . . 2.1800000000000002 111.074 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -82.6 161.27 22.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.887 -0.597 . . . . 0.78000000000000003 111.887 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -96.92 139.33 33.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.442 -0.799 . . . . 3.0499999999999998 108.85 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 35.9 mm -106.25 122.22 59.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.098 0.475 . . . . 0.85999999999999999 111.589 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -132.99 137.14 54.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.542 -0.91 . . . . 0.98999999999999999 108.542 177.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.11 132.07 55.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 0.5 112.507 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -102.08 -0.11 34.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.592 -0.731 . . . . 0.93999999999999995 109.339 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 7.5 t -111.03 137.2 48.95 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.284 -0.871 . . . . 1.3100000000000001 110.301 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.1 m -59.38 -44.71 92.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 1.1200000000000001 112.227 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.64 -53.87 52.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 0.94999999999999996 111.363 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB2' ' OG1' ' A' ' 41' ' ' THR . . . -58.57 -41.09 84.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.5 111.057 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -60.45 -46.45 90.0 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.094 -0.336 . . . . 1.27 110.094 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.65 -41.68 91.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 1.21 110.475 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.1 mmm -65.57 -43.78 88.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.967 -0.561 . . . . 1.51 111.004 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 92' ' ' TYR . 49.3 mt -68.5 -31.84 71.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.57999999999999996 110.932 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.405 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 92.9 mt-10 -77.58 -25.58 50.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 1.46 109.816 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -75.58 -52.72 9.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 2.3300000000000001 110.696 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 108.33 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.222 -0.445 . . . . 1.6000000000000001 110.649 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.86 -26.82 68.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.956 -0.565 . . . . 2.6600000000000001 111.042 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -38.4 86.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 1.46 110.421 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 61' ' ' VAL . 13.9 m-30 -80.55 -29.14 37.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.444 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' ' 89' ' ' GLN . 3.3 tt0 -68.41 -9.54 49.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.371 -0.831 . . . . 2.4199999999999999 111.4 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.54 -40.15 88.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.291 0.567 . . . . 2.4399999999999999 109.685 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m -103.87 -18.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.87 110.911 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.505 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.1 t80 -86.13 133.0 33.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 1.1399999999999999 109.998 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.116 -0.493 . . . . 1.4199999999999999 110.743 -179.813 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.788 0.328 . . . . 2.9100000000000001 111.409 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -82.78 86.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 1.0 109.764 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 7.1 mmmm -71.94 130.27 40.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.709 -0.678 . . . . 2.23 110.254 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -106.73 128.28 54.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.297 0.57 . . . . 2.52 110.502 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.83 -151.18 8.75 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.449 -0.796 . . . . 1.04 111.631 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.7 87.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.585 0.354 . . . . 3.1899999999999999 110.641 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.417 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.4 m-80 51.2 44.0 28.95 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.681 -0.691 . . . . 1.3799999999999999 110.532 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -153.82 158.69 41.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.655 -0.702 . . . . 0.93999999999999995 111.054 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.57 133.23 53.35 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.391 -0.966 . . . . 0.68999999999999995 108.391 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 14.7 p90 -147.58 148.43 31.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.323 0.582 . . . . 1.1599999999999999 111.556 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -126.28 121.3 58.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.442 -0.799 . . . . 0.92000000000000004 109.169 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.93 175.37 45.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.288 -0.958 . . . . 1.52 112.301 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.81 -42.73 69.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.421 0.629 . . . . 2.6200000000000001 110.634 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 21' ' ' ASN . 24.0 t70 -136.93 165.52 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.116 -0.947 . . . . 1.6000000000000001 109.595 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.31 -41.77 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.404 . . . . 2.7200000000000002 110.999 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -82.14 -19.11 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.422 0.629 . . . . 2.9199999999999999 110.14 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' HB2' ' H ' ' A' ' 18' ' ' ASP . 6.1 m-20 -100.23 41.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.577 -0.738 . . . . 2.4500000000000002 110.118 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.12 110.82 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 1.1899999999999999 110.757 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.5 mt -72.69 -26.47 61.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.11 -0.495 . . . . 1.3899999999999999 110.175 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -148.96 130.74 15.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.699 -0.682 . . . . 0.77000000000000002 109.773 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.73 142.91 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.005 0.431 . . . . 1.3300000000000001 111.207 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -139.87 135.93 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.665 -0.698 . . . . 0.40999999999999998 109.122 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 145.13 48.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.83 0.348 . . . . 0.59999999999999998 111.656 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -140.49 161.79 36.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.813 -0.631 . . . . 0.76000000000000001 109.344 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -151.93 152.69 32.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.669 0.271 . . . . 3.6299999999999999 110.393 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -87.42 113.48 23.16 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.407 -0.59 . . . . 0.82999999999999996 109.407 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.21 -27.01 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.83999999999999997 111.969 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -142.79 -76.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.572 -0.451 . . . . 1.74 111.589 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -134.38 -60.19 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.571 0.582 . . . . 2.7200000000000002 112.571 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -117.81 -2.18 11.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 1.8400000000000001 111.401 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -86.84 114.82 23.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.28 -0.418 . . . . 2.25 111.4 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 pt -103.2 120.4 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.87 -0.605 . . . . 0.53000000000000003 109.861 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.2 t30 -103.67 120.02 40.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.8200000000000001 111.729 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -82.11 114.04 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.647 -0.871 . . . . 0.68999999999999995 108.647 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 30.1 t70 -100.58 -54.18 2.9 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.264 0.838 . . . . 2.4700000000000002 113.264 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -111.79 141.37 45.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.507 0.67 . . . . 2.1200000000000001 112.06 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.61 143.09 31.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.983 -1.008 . . . . 0.72999999999999998 108.503 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.89 114.07 0.59 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 119.338 -1.41 . . . . 0.69999999999999996 113.822 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.423 HG13 ' HB2' ' A' ' 24' ' ' ALA . 8.5 t -123.37 144.61 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.29 -1.004 . . . . 0.93000000000000005 108.29 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 121.329 0.585 . . . . 1.8300000000000001 110.893 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 111.862 -0.495 . . . . 1.1100000000000001 111.862 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 t -57.83 -44.82 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 1.1399999999999999 110.809 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.3 -33.32 86.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.93 -0.652 . . . . 0.58999999999999997 112.153 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -74.05 -35.28 64.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.685 0.278 . . . . 2.02 110.418 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -58.71 -50.27 74.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.192 -0.458 . . . . 2.5699999999999998 111.688 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -66.05 -43.92 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.143 -0.223 . . . . 0.85999999999999999 111.577 -179.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.95 -40.07 95.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.103 0.478 . . . . 1.29 110.196 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.536 ' HG2' ' OE2' ' A' ' 62' ' ' GLU . 26.9 ttpp -58.61 -41.55 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 1.3899999999999999 110.401 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.98 77.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.845 -0.616 . . . . 0.56000000000000005 110.942 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -67.77 -43.31 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.579 -0.526 . . . . 0.44 109.579 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.5 t -64.24 -42.46 95.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.514 -0.766 . . . . 0.53000000000000003 110.554 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.536 ' OE2' ' HG2' ' A' ' 58' ' ' LYS . 52.1 mt-10 -64.98 -47.01 79.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.564 -0.744 . . . . 1.76 111.266 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -66.13 -31.67 72.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.155 -0.475 . . . . 1.04 110.447 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -60.83 -46.85 88.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.84999999999999998 110.442 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.1 -33.85 76.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 3.1200000000000001 110.772 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.74 -38.94 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 1.8200000000000001 111.378 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.55 12.33 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.104 0.409 . . . . 1.3999999999999999 112.104 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 56.81 38.18 29.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.501 0.667 . . . . 2.1800000000000002 110.693 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 64' ' ' ALA . 52.6 mt -81.72 161.65 23.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.568 -0.742 . . . . 0.78000000000000003 111.03 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.1 mptt -110.08 130.21 55.57 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.589 -0.893 . . . . 3.0499999999999998 108.589 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 61' ' ' VAL . 54.8 mt -100.71 127.46 53.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.732 0.777 . . . . 0.85999999999999999 112.622 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -135.18 158.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.395 -1.275 . . . . 0.98999999999999999 107.628 177.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.77 136.29 20.42 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.961 -0.696 . . . . 0.5 112.478 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 p -98.32 -22.14 16.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.749 -0.834 . . . . 0.93999999999999995 108.749 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 7.5 t -71.4 130.6 41.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.964 -1.016 . . . . 1.3100000000000001 110.029 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -46.12 91.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 1.1200000000000001 111.386 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -63.57 -49.77 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.94999999999999996 110.872 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -45.88 93.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.5 111.009 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -64.37 -41.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 1.27 110.269 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -58.66 -40.54 83.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.409 -0.36 . . . . 1.21 110.504 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mtp -64.48 -41.41 96.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 1.51 110.198 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.4 -38.2 74.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.57999999999999996 110.77 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.33 -39.62 81.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 1.46 110.997 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -72.69 -36.02 67.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 2.3300000000000001 110.684 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.01 84.65 6.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.322 -0.622 . . . . 1.6000000000000001 109.322 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.84 -25.07 62.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.171 -0.468 . . . . 2.6600000000000001 111.526 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -9.94 59.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.034 -0.53 . . . . 1.46 111.163 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -96.17 -2.72 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.089 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.9 6.37 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.452 . . . . 2.4199999999999999 110.975 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -26.53 58.06 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.344 -0.613 . . . . 2.4399999999999999 109.344 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.87 -22.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.651 -0.704 . . . . 0.87 110.691 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -86.45 132.52 33.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.1399999999999999 110.256 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 1.4199999999999999 111.383 -179.466 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.705 0.288 . . . . 2.9100000000000001 110.749 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -80.76 109.09 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.741 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -94.24 125.58 38.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.392 -0.367 . . . . 2.23 110.448 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -88.12 114.48 24.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.482 0.658 . . . . 2.52 109.783 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.1 -161.55 22.71 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.263 -0.88 . . . . 1.04 111.774 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.03 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 3.1899999999999999 110.545 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 52.36 43.23 31.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.583 -0.735 . . . . 1.3799999999999999 110.496 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -160.13 172.37 17.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.93999999999999995 111.256 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -132.84 128.1 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.27 -1.011 . . . . 0.68999999999999995 108.27 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.96 152.72 46.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.06 0.457 . . . . 1.1599999999999999 111.269 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.8 mt -134.79 134.61 53.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.403 -0.817 . . . . 0.92000000000000004 109.473 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 -169.75 41.57 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.173 -1.013 . . . . 1.52 112.597 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.98 -31.08 50.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.344 0.592 . . . . 2.6200000000000001 110.097 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -159.17 170.73 21.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.033 -0.985 . . . . 1.6000000000000001 108.687 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.75 -35.77 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.221 0.534 . . . . 2.7200000000000002 110.047 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -86.45 -22.9 26.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.288 0.566 . . . . 2.9199999999999999 110.125 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -101.55 44.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.694 . . . . 2.4500000000000002 109.546 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.04 131.27 41.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.544 -0.753 . . . . 1.1899999999999999 111.24 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -96.4 -15.55 21.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.846 -0.615 . . . . 1.3899999999999999 109.641 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.96 134.99 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.77000000000000002 109.048 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -153.23 134.87 14.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.247 0.546 . . . . 1.3300000000000001 112.028 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -128.75 130.01 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.324 -0.853 . . . . 0.40999999999999998 109.042 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -119.71 142.96 48.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 0.59999999999999998 111.41 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -143.67 167.91 21.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.35 -0.611 . . . . 0.76000000000000001 109.35 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 154.05 34.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.68 0.276 . . . . 3.6299999999999999 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -80.37 103.13 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.82999999999999996 109.249 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.29 -31.93 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.435 -0.348 . . . . 0.83999999999999997 111.627 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -130.76 -88.89 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.35 -0.54 . . . . 1.74 111.698 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -126.31 -57.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.827 -0.349 . . . . 2.7200000000000002 111.796 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -121.6 4.78 10.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 1.8400000000000001 110.203 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -94.2 116.81 29.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.341 -0.845 . . . . 2.25 111.319 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 pt -106.86 124.55 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.726 -0.67 . . . . 0.53000000000000003 109.598 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.8 t30 -105.99 131.09 53.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.155 -0.475 . . . . 1.8200000000000001 111.8 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.63 119.53 33.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.885 -0.598 . . . . 0.68999999999999995 109.662 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.12 -26.03 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 2.4700000000000002 111.943 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -143.84 135.06 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.56 . . . . 2.1200000000000001 111.728 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.58 103.75 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 0.72999999999999998 109.774 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.05 137.03 9.49 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.323 -0.942 . . . . 0.69999999999999996 112.784 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.72 132.1 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.404 -0.591 . . . . 0.93000000000000005 109.404 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 121.265 0.555 . . . . 1.8300000000000001 111.216 -179.283 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.627 0 N-CA-C 111.591 -0.604 . . . . 1.1100000000000001 111.591 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.77 -31.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 1.1399999999999999 110.595 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.01 95.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.949 -0.643 . . . . 0.58999999999999997 111.999 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -71.09 -34.07 70.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.757 -0.46 . . . . 2.02 109.757 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -70.17 -36.88 75.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.747 -0.66 . . . . 2.5699999999999998 109.81 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 60' ' ' VAL . 13.1 mt -66.16 -46.64 76.7 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.313 -0.625 . . . . 0.85999999999999999 109.313 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 tp -62.41 -34.69 77.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.588 -0.733 . . . . 1.29 109.433 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -61.37 -44.81 96.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.683 -0.69 . . . . 1.3899999999999999 109.615 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.46 98.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.781 -0.645 . . . . 0.56000000000000005 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 56' ' ' LEU . 59.9 t -62.76 -46.16 97.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.44 109.74 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 91' ' ' VAL . 50.9 t -62.18 -44.74 99.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.751 -0.659 . . . . 0.53000000000000003 110.584 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.24 -50.06 75.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 1.76 110.166 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -62.17 -40.37 95.79 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.779 -0.646 . . . . 1.04 110.752 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.645 . . . . 0.84999999999999998 110.998 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.63 -40.96 89.34 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.052 0.22 . . . . 3.1200000000000001 111.014 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.72 -27.71 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 1.8200000000000001 111.484 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -109.24 10.16 25.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.366 -0.379 . . . . 1.3999999999999999 111.323 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 t30 56.19 34.79 24.58 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.559 0.695 . . . . 2.1800000000000002 111.415 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -87.32 162.23 17.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.88 -0.6 . . . . 0.78000000000000003 111.225 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.0 mptt -112.41 137.58 50.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.885 -0.783 . . . . 3.0499999999999998 108.885 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 57.4 mt -109.13 132.49 57.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.323 0.582 . . . . 0.85999999999999999 112.032 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -133.7 161.18 41.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.592 -1.262 . . . . 0.98999999999999999 107.592 177.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.03 130.8 18.03 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.531 -0.867 . . . . 0.5 113.2 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -94.86 -30.16 14.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.389 -0.967 . . . . 0.93999999999999995 108.389 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.24 129.54 41.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.779 -1.1 . . . . 1.3100000000000001 109.752 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -51.5 59.84 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.201 -0.454 . . . . 1.1200000000000001 112.194 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.44 ' O ' ' HG2' ' A' ' 81' ' ' MET . 76.0 t80 -61.38 -50.31 73.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.654 -0.248 . . . . 0.94999999999999996 111.244 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.7 96.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.09 0.404 . . . . 0.5 112.09 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -63.13 -43.53 98.13 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.833 -0.432 . . . . 1.27 109.833 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.11 -30.34 70.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.966 -0.561 . . . . 1.21 109.928 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 44.9 mmm -70.75 -49.47 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.51 111.258 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.1 -24.6 65.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.07 -0.514 . . . . 0.57999999999999996 111.328 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -84.32 -23.22 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 1.46 110.21 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -85.96 -43.75 12.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.932 -0.576 . . . . 2.3300000000000001 110.573 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.07 94.84 7.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.009 -0.541 . . . . 1.6000000000000001 110.451 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -16.83 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 2.6600000000000001 110.89 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -70.3 -7.6 43.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 1.46 111.298 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -113.22 14.71 19.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.824 0.345 . . . . 1.0 110.743 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.21 -17.84 64.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.909 0.337 . . . . 2.4199999999999999 111.909 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.519 -0.31 . . . . 2.4399999999999999 111.174 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.462 HG21 HG13 ' A' ' 61' ' ' VAL . 4.2 m -103.34 -32.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.095 -0.242 . . . . 0.87 110.998 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 47.4 t80 -86.52 137.49 32.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.336 . . . . 1.1399999999999999 110.156 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.336 -0.393 . . . . 1.4199999999999999 111.368 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 110.435 -0.209 . . . . 2.9100000000000001 110.435 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -73.58 94.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 1.0 109.644 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 12.0 mmmm -76.39 125.93 30.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.483 -0.78 . . . . 2.23 110.563 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -98.95 120.79 39.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.208 0.528 . . . . 2.52 110.259 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.25 -162.6 13.65 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.768 -0.651 . . . . 1.04 111.59 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.26 91.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.734 0.414 . . . . 3.1899999999999999 110.971 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 52.63 39.2 27.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.746 -0.661 . . . . 1.3799999999999999 111.198 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -155.32 156.68 35.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.93999999999999995 110.888 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -122.68 130.02 52.49 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.678 -0.86 . . . . 0.68999999999999995 108.678 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 14.8 p90 -143.28 151.16 40.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.196 0.522 . . . . 1.1599999999999999 111.035 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.98 120.64 50.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.652 -0.704 . . . . 0.92000000000000004 109.201 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.35 172.04 44.44 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.88 -0.676 . . . . 1.52 111.881 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.58 -28.25 62.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 2.6200000000000001 110.62 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -149.27 165.56 31.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.578 -0.527 . . . . 1.6000000000000001 109.578 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.41 -29.41 70.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.888 0.375 . . . . 2.7200000000000002 110.607 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -95.11 4.57 53.53 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.539 0.685 . . . . 2.9199999999999999 109.909 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -126.63 43.86 3.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.553 -0.749 . . . . 2.4500000000000002 110.092 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.26 114.03 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.969 -0.559 . . . . 1.1899999999999999 110.693 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -84.04 -11.27 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.351 0.596 . . . . 1.3899999999999999 109.486 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.71 128.02 2.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.116 -0.947 . . . . 0.77000000000000002 108.927 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.11 138.84 23.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.211 0.529 . . . . 1.3300000000000001 111.967 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -134.04 128.99 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.204 -0.907 . . . . 0.40999999999999998 109.285 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -117.87 137.74 52.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.59999999999999998 111.574 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -135.75 167.07 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.408 -0.59 . . . . 0.76000000000000001 109.408 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -161.2 154.97 22.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.818 0.342 . . . . 3.6299999999999999 111.109 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.12 114.74 21.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.902 -0.777 . . . . 0.82999999999999996 108.902 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.3 m -90.8 -29.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.24 0.459 . . . . 0.83999999999999997 112.24 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 10.8 t70 -131.93 -81.28 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.673 -0.411 . . . . 1.74 111.066 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -131.44 -70.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 2.7200000000000002 111.387 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -110.57 0.07 17.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.205 0.526 . . . . 1.8400000000000001 110.216 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 15.1 mp0 -84.49 116.48 23.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.686 -0.688 . . . . 2.25 110.999 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 pt -107.39 121.74 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.03 -0.532 . . . . 0.53000000000000003 109.659 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 9.6 t30 -103.66 125.62 50.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 1.8200000000000001 111.759 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.71 124.21 40.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.811 -0.811 . . . . 0.68999999999999995 108.811 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -100.84 -53.56 3.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.169 0.433 . . . . 2.4700000000000002 112.169 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -112.73 140.53 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.323 0.583 . . . . 2.1200000000000001 112.035 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -148.8 107.71 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.096 -0.956 . . . . 0.72999999999999998 108.524 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.33 152.65 22.51 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.208 -0.996 . . . . 0.69999999999999996 113.104 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.48 125.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.485 -0.561 . . . . 0.93000000000000005 109.485 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.32 -0.713 0 CA-C-O 121.208 0.528 . . . . 1.8300000000000001 110.763 -179.83 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.177 0 CA-C-O 120.462 -0.076 . . . . 1.1100000000000001 113.04 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.86 -32.92 53.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 1.1399999999999999 110.919 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.7 -27.93 67.21 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.857 -0.611 . . . . 0.58999999999999997 112.289 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -70.07 -32.09 70.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 2.02 110.204 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -73.33 -40.5 64.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.547 -0.538 . . . . 2.5699999999999998 109.547 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.95 -47.47 77.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.523 -0.762 . . . . 0.85999999999999999 109.965 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.12 -38.39 88.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.703 -0.681 . . . . 1.29 110.26 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -58.01 -42.94 86.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.239 -0.437 . . . . 1.3899999999999999 110.308 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.36 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.793 -0.64 . . . . 0.56000000000000005 110.323 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.35 -46.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.914 -0.402 . . . . 0.44 109.914 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.454 HG13 HG21 ' A' ' 91' ' ' VAL . 54.7 t -59.53 -44.68 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.754 -0.657 . . . . 0.53000000000000003 110.44 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -65.92 -45.62 81.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 1.76 111.025 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.524 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.8 t60 -65.75 -35.75 81.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.785 0.326 . . . . 1.04 111.043 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.72 93.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.84999999999999998 110.134 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 90' ' ' ASP . 27.8 tpt180 -62.18 -37.45 85.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.545 . . . . 3.1200000000000001 110.546 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 51.9 mt-10 -63.12 -36.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.8200000000000001 111.665 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.444 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 38.2 m-80 -103.85 5.52 35.9 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.429 0.529 . . . . 1.3999999999999999 112.429 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.16 37.27 20.87 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.747 0.784 . . . . 2.1800000000000002 110.542 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 69.4 mt -83.53 158.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.78000000000000003 110.821 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.6 mptt -104.3 125.15 50.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.827 -0.805 . . . . 3.0499999999999998 108.827 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 61' ' ' VAL . 53.8 mt -96.67 125.93 49.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.56 0.695 . . . . 0.85999999999999999 112.829 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -135.05 153.03 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.444 -1.317 . . . . 0.98999999999999999 107.444 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.61 141.14 37.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.993 -0.683 . . . . 0.5 112.669 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 m -92.83 -32.23 14.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.322 -0.854 . . . . 0.93999999999999995 108.923 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -67.18 129.49 40.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.265 -0.88 . . . . 1.3100000000000001 109.845 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -57.04 -35.18 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.437 -0.347 . . . . 1.1200000000000001 111.323 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -65.08 -62.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.911 -0.586 . . . . 0.94999999999999996 111.838 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -58.01 -42.35 85.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.5 111.796 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.86 -39.54 89.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 1.27 110.202 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.484 ' HA ' ' HG2' ' A' ' 83' ' ' GLU . 69.3 t60 -69.79 -29.99 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.21 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.57 -35.65 73.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.956 0.408 . . . . 1.51 110.606 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 45.5 mt -72.11 -45.38 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 0.57999999999999996 111.0 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 26.1 pt-20 -73.22 -19.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 1.46 111.503 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 5.6 ttpp -75.63 -11.4 60.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.522 . . . . 2.3300000000000001 110.448 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.65 106.66 11.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.997 -0.547 . . . . 1.6000000000000001 110.39 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.82 -27.14 68.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.518 0.675 . . . . 2.6600000000000001 110.235 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -79.13 -0.28 31.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.438 -0.801 . . . . 1.46 111.991 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -92.9 4.73 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.947 0.403 . . . . 1.0 110.56 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -70.74 0.92 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 2.4199999999999999 111.813 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.412 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 16.8 p-10 -82.97 -22.66 33.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.193 0.52 . . . . 2.4399999999999999 109.672 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 HG13 ' A' ' 61' ' ' VAL . 4.9 m -124.64 -31.66 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.529 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -88.39 137.57 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 1.1399999999999999 109.832 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 1.4199999999999999 111.211 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 15' ' ' ILE . 12.2 mm-40 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 110.353 -0.239 . . . . 2.9100000000000001 110.353 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -79.53 97.01 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.855 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 18.9 mmmt -90.99 117.52 29.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 2.23 110.369 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.19 129.05 39.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 2.52 110.046 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.58 -153.14 10.58 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.485 -0.78 . . . . 1.04 111.19 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 89.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.694 0.247 . . . . 3.1899999999999999 110.349 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.552 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.2 m-80 52.6 44.54 29.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.779 -0.646 . . . . 1.3799999999999999 110.14 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -154.63 168.81 25.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.821 -0.627 . . . . 0.93999999999999995 111.376 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.1 119.45 20.99 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.751 -0.833 . . . . 0.68999999999999995 108.751 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 25.6 p90 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.891 0.377 . . . . 1.1599999999999999 110.886 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 5' ' ' GLU . 61.6 mt -136.05 131.9 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.804 -0.635 . . . . 0.92000000000000004 109.736 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.81 -157.0 28.84 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.708 -0.758 . . . . 1.52 112.314 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.84 -35.45 19.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.099 0.476 . . . . 2.6200000000000001 110.39 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.15 169.45 21.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.477 -0.783 . . . . 1.6000000000000001 109.517 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.56 -40.07 71.45 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.241 0.543 . . . . 2.7200000000000002 110.057 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -87.52 -27.09 22.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.433 0.635 . . . . 2.9199999999999999 109.739 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.59 44.24 1.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.762 0.791 . . . . 2.4500000000000002 109.234 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.62 128.17 34.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.98 -1.009 . . . . 1.1899999999999999 110.286 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.82 -11.76 55.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.143 0.497 . . . . 1.3899999999999999 110.097 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.68 134.33 4.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.664 -0.698 . . . . 0.77000000000000002 109.61 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 126.44 12.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 1.3300000000000001 110.828 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -122.12 120.44 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.475 -0.784 . . . . 0.40999999999999998 109.324 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.22 145.49 38.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.005 -0.543 . . . . 0.59999999999999998 111.365 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -143.54 170.15 16.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.791 -0.64 . . . . 0.76000000000000001 109.978 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.552 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -152.54 154.55 35.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 3.6299999999999999 110.301 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.85 103.26 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.302 -0.629 . . . . 0.82999999999999996 109.302 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.6 m -71.66 -40.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.83999999999999997 112.252 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.443 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 13.9 t70 -125.71 -81.63 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.739 -0.385 . . . . 1.74 111.307 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -134.71 -60.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.117 0.414 . . . . 2.7200000000000002 112.117 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -111.79 -3.87 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.101 0.477 . . . . 1.8400000000000001 110.744 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 10.8 mp0 -85.08 117.51 24.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.971 -0.559 . . . . 2.25 111.678 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.53 119.36 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.53000000000000003 109.314 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 12.1 t30 -102.68 119.84 39.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.241 -0.436 . . . . 1.8200000000000001 111.751 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.68 110.13 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.448 -0.945 . . . . 0.68999999999999995 108.448 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.13 -30.74 13.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.267 0.469 . . . . 2.4700000000000002 112.267 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.554 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 65.5 t60 -131.69 126.15 33.87 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.277 -0.569 . . . . 2.1200000000000001 112.276 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -133.04 89.31 2.6 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.338 -0.986 . . . . 0.72999999999999998 108.338 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.78 132.98 11.05 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.2 -1.0 . . . . 0.69999999999999996 113.199 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.67 132.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.678 -0.86 . . . . 0.93000000000000005 108.678 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.317 -0.808 0 CA-C-O 121.086 0.47 . . . . 1.8300000000000001 110.927 -179.507 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 110.984 -0.847 . . . . 1.1100000000000001 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.31 -30.3 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.419 -0.391 . . . . 1.1399999999999999 111.209 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.33 -34.28 73.94 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.005 -0.617 . . . . 0.58999999999999997 112.287 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -68.29 -41.45 80.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.207 0.527 . . . . 2.02 109.759 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -68.18 -40.09 82.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 2.5699999999999998 110.244 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 60' ' ' VAL . 30.5 mt -63.25 -46.71 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.76 -0.654 . . . . 0.85999999999999999 110.768 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 61' ' ' VAL . 16.9 tp -63.77 -35.18 79.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.29 110.297 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.52 -43.11 97.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.413 -0.358 . . . . 1.3899999999999999 110.123 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.07 79.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.56000000000000005 110.177 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 56' ' ' LEU . 81.7 t -66.79 -45.3 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.284 -0.635 . . . . 0.44 109.284 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' HA ' HD11 ' A' ' 71' ' ' ILE . 70.6 t -59.68 -46.08 93.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.685 -0.689 . . . . 0.53000000000000003 110.105 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 47.9 mt-10 -60.08 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.537 -0.756 . . . . 1.76 110.469 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.516 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.7 t60 -63.04 -36.74 84.57 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.898 -0.592 . . . . 1.04 110.756 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.18 92.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.527 . . . . 0.84999999999999998 110.085 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.14 -32.45 73.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 3.1200000000000001 110.817 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 65.4 mt-10 -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.078 -0.51 . . . . 1.8200000000000001 111.412 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.44 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 41.0 m-80 -108.87 9.4 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.333 -0.394 . . . . 1.3999999999999999 111.803 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.45 38.11 29.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.581 0.705 . . . . 2.1800000000000002 110.713 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.7 mt -81.4 159.3 24.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.681 -0.69 . . . . 0.78000000000000003 110.93 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.1 mptt -106.24 127.9 53.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.869 -0.789 . . . . 3.0499999999999998 108.869 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 61' ' ' VAL . 51.5 mt -96.33 132.76 39.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 112.851 0.686 . . . . 0.85999999999999999 112.851 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.0 pt -143.87 157.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.204 -1.406 . . . . 0.98999999999999999 107.204 177.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.73 134.01 14.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.718 -0.793 . . . . 0.5 112.607 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -25.15 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.917 -0.771 . . . . 0.93999999999999995 108.917 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.76 121.39 18.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.276 -0.875 . . . . 1.3100000000000001 109.26 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -55.24 -38.95 69.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.296 0.48 . . . . 1.1200000000000001 112.296 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -62.37 -55.85 24.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.94999999999999996 111.07 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.48 97.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.261 -0.427 . . . . 0.5 111.257 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 13.1 tmtt? -60.27 -47.05 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 1.27 110.642 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -67.94 -29.78 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.303 -0.408 . . . . 1.21 111.632 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tpp -63.39 -38.08 89.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.389 -0.597 . . . . 1.51 109.389 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 92' ' ' TYR . 11.4 mt -72.78 -33.32 66.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.515 -0.766 . . . . 0.57999999999999996 110.328 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.4 mt-10 -69.99 -29.2 66.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.507 0.67 . . . . 1.46 109.918 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.85 -24.01 55.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.084 -0.962 . . . . 2.3300000000000001 111.149 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -111.85 97.4 6.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.223 0.535 . . . . 1.6000000000000001 111.167 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.33 -29.2 70.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.455 -0.793 . . . . 2.6600000000000001 110.725 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -11.89 61.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 1.46 111.68 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -95.26 2.27 54.79 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.641 0.258 . . . . 1.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.32 3.71 10.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.776 0.322 . . . . 2.4199999999999999 111.524 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -77.96 -25.62 48.3 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.625 -0.509 . . . . 2.4399999999999999 109.625 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG21 HG13 ' A' ' 61' ' ' VAL . 2.6 m -118.56 -29.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.571 -0.741 . . . . 0.87 110.134 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.527 ' CD1' HD13 ' A' ' 82' ' ' LEU . 55.2 t80 -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.638 -0.504 . . . . 1.1399999999999999 109.638 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.325 -0.492 0 CA-C-O 121.043 0.449 . . . . 1.4199999999999999 110.738 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.694 -0.484 . . . . 2.9100000000000001 109.694 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 59' ' ' ALA . 7.4 mt -75.2 96.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.182 0.515 . . . . 1.0 110.156 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -80.72 124.26 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.617 -0.719 . . . . 2.23 110.129 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.17 143.2 39.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.232 0.539 . . . . 2.52 110.753 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.39 -168.46 12.17 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.631 -0.713 . . . . 1.04 111.337 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 10' ' ' GLU . 4.7 pt-20 -65.8 94.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.841 0.353 . . . . 3.1899999999999999 111.087 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.41 33.49 22.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.53 -0.759 . . . . 1.3799999999999999 110.6 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 38.6 pttt -159.72 -179.41 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.93999999999999995 111.44 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -135.89 141.28 44.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.427 -0.953 . . . . 0.68999999999999995 108.427 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -152.02 163.04 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.274 0.559 . . . . 1.1599999999999999 111.679 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.3 mt -131.53 126.76 58.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.447 -0.797 . . . . 0.92000000000000004 109.577 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.29 174.37 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.582 -0.818 . . . . 1.52 112.543 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.67 -58.38 7.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 2.6200000000000001 110.8 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -135.19 164.15 28.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.106 -0.702 . . . . 1.6000000000000001 109.106 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.16 -33.96 76.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.599 0.222 . . . . 2.7200000000000002 111.599 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -68.72 -41.42 79.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.25 0.548 . . . . 2.9199999999999999 109.768 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.74 35.94 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 2.4500000000000002 110.053 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.25 132.43 49.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 1.1899999999999999 111.159 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.06 -41.58 64.0 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.964 -0.754 . . . . 1.3899999999999999 108.964 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.84 148.01 20.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.174 -0.921 . . . . 0.77000000000000002 110.416 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -150.57 149.36 29.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.02 0.438 . . . . 1.3300000000000001 110.686 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 15.1 tt -135.82 127.01 44.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.075 -0.713 . . . . 0.40999999999999998 109.075 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.9 p -108.98 142.73 39.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.722 0.296 . . . . 0.59999999999999998 111.462 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.4 p90 -135.12 150.98 50.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.887 -0.412 . . . . 0.76000000000000001 109.887 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -139.79 156.2 46.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.915 0.388 . . . . 3.6299999999999999 110.577 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -88.73 106.27 18.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.115 -0.493 . . . . 0.82999999999999996 110.156 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -81.65 -24.97 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.83999999999999997 110.644 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -136.6 -97.09 0.22 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 1.74 109.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -149.34 -49.74 0.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.39 -0.596 . . . . 2.7200000000000002 109.39 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 69' ' ' LEU . 2.8 t30 -107.24 17.01 23.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 1.8400000000000001 109.545 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -131.5 126.13 34.17 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.468 -0.787 . . . . 2.25 110.167 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -122.08 139.21 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.53000000000000003 110.473 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 p-10 -111.94 142.37 44.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.208 -0.451 . . . . 1.8200000000000001 111.272 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.55 105.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.755 -1.202 . . . . 0.68999999999999995 107.755 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -60.06 -69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 2.4700000000000002 111.614 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.4 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 10.4 p-80 -137.16 147.79 46.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.027 0.441 . . . . 2.1200000000000001 111.165 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -118.93 129.86 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.545 -0.752 . . . . 0.72999999999999998 109.914 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -140.32 104.09 0.39 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.448 -0.882 . . . . 0.69999999999999996 111.821 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -117.7 159.46 17.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 110.275 -0.268 . . . . 0.93000000000000005 110.275 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.8300000000000001 110.977 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.63 0 N-CA-C 112.189 -0.364 . . . . 1.1100000000000001 112.189 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.39 -49.85 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.919 0.39 . . . . 1.1399999999999999 111.438 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.34 99.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.58999999999999997 112.755 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -68.71 -28.37 66.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 2.02 110.077 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.79 -39.75 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 2.5699999999999998 110.262 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.889 -0.596 . . . . 0.85999999999999999 110.185 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.52 -37.7 84.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 1.29 109.813 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.64 -41.5 97.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.33 -0.85 . . . . 1.3899999999999999 110.751 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.647 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -59.68 -45.96 90.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.56000000000000005 111.345 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.7 t -61.75 -47.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.44 110.672 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 58.6 t -66.7 -34.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 0.53000000000000003 111.064 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -57.2 -53.48 57.64 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.946 0.403 . . . . 1.76 110.119 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.512 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 27.3 t60 -65.23 -28.95 69.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.981 -0.554 . . . . 1.04 109.994 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.58 -28.15 66.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.681 -0.691 . . . . 0.84999999999999998 110.605 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 30.8 mmt180 -76.39 -32.54 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 3.1200000000000001 110.109 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.512 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 41.5 mt-10 -66.99 -51.47 54.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.645 -0.707 . . . . 1.8200000000000001 111.375 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 4.5 m120 -92.47 -10.7 36.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.509 . . . . 1.3999999999999999 112.18 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 60.67 63.62 1.3 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.187 0.518 . . . . 2.1800000000000002 109.869 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 mt -105.02 165.72 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.78000000000000003 111.282 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -90.09 133.68 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.205 -0.665 . . . . 3.0499999999999998 109.205 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.464 HD11 ' HB2' ' A' ' 64' ' ' ALA . 48.3 mm -109.6 122.16 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.966 0.413 . . . . 0.85999999999999999 111.753 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -132.53 146.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.379 -0.971 . . . . 0.98999999999999999 108.379 177.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.64 54.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.952 0.406 . . . . 0.5 111.87 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -84.88 -35.69 22.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.844 -0.616 . . . . 0.93999999999999995 109.58 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -74.64 130.86 40.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.451 -0.795 . . . . 1.3100000000000001 110.062 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.8 m -60.29 -35.82 76.44 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.777 0.288 . . . . 1.1200000000000001 111.777 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.469 ' O ' ' HG3' ' A' ' 81' ' ' MET . 12.0 t80 -63.22 -57.25 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.627 -0.261 . . . . 0.94999999999999996 110.586 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.53 79.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.425 . . . . 0.5 110.861 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.82 -0.627 . . . . 1.27 110.134 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 81.4 t60 -74.61 -26.75 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 1.21 111.163 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 91.7 mtp -63.22 -47.34 82.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 1.51 110.129 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.25 -30.8 63.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.346 0.593 . . . . 0.57999999999999996 109.969 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 36.2 tt0 -68.39 -22.73 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.141 -0.936 . . . . 1.46 110.898 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.36 -15.48 56.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 2.3300000000000001 111.764 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -120.08 119.25 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.076 -0.39 . . . . 1.6000000000000001 111.659 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 2.6600000000000001 110.289 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 m -62.54 -36.15 81.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.643 -0.708 . . . . 1.46 110.933 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.422 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 6.2 m-30 -72.8 -23.17 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.12 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.1 -7.8 19.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.364 -0.38 . . . . 2.4199999999999999 111.97 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -63.66 -43.57 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.992 -0.744 . . . . 2.4399999999999999 108.992 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 m -104.98 -37.03 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.126 -0.943 . . . . 0.87 110.459 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 2.8 t80 -75.84 135.58 40.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 1.1399999999999999 109.742 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.386 0.612 . . . . 1.4199999999999999 111.156 -178.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.912 -0.403 . . . . 2.9100000000000001 109.912 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -75.04 95.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.194 0.521 . . . . 1.0 110.257 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.04 130.52 34.44 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.726 -0.67 . . . . 2.23 110.226 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -108.84 144.79 36.25 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.16 0.505 . . . . 2.52 110.201 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.81 -155.04 8.29 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.21 -0.756 . . . . 1.04 111.21 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.33 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.323 -0.251 . . . . 3.1899999999999999 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 42.7 m-80 53.44 42.46 31.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.621 -0.718 . . . . 1.3799999999999999 109.888 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -150.15 164.13 36.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.93999999999999995 111.312 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 56' ' ' LEU . 42.7 m-85 -131.51 137.15 48.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.97 -1.122 . . . . 0.68999999999999995 107.97 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -156.41 156.44 33.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.283 0.563 . . . . 1.1599999999999999 111.86 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.634 HG13 HD21 ' A' ' 56' ' ' LEU . 73.8 mt -136.27 124.95 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.183 -0.917 . . . . 0.92000000000000004 108.902 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.8 173.85 46.37 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.366 -0.921 . . . . 1.52 112.468 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.58 -33.66 74.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 2.6200000000000001 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -149.37 170.49 18.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.614 -0.721 . . . . 1.6000000000000001 109.195 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.36 -40.97 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 2.7200000000000002 110.237 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -85.0 -19.79 31.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 2.9199999999999999 110.239 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.42 41.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.763 -0.653 . . . . 2.4500000000000002 109.926 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.24 111.52 8.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.743 -0.662 . . . . 1.1899999999999999 110.548 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.57 -32.67 64.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.442 0.639 . . . . 1.3899999999999999 109.317 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -144.59 129.75 18.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.06 -0.973 . . . . 0.77000000000000002 109.195 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.79 131.08 19.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.968 0.414 . . . . 1.3300000000000001 111.023 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -128.11 119.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.648 -0.705 . . . . 0.40999999999999998 109.286 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.476 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.62 144.98 40.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.59999999999999998 111.304 -179.285 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HB3' HG12 ' A' ' 38' ' ' ILE . 46.0 p90 -143.72 175.83 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.778 -0.647 . . . . 0.76000000000000001 109.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -160.61 151.7 18.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.76 0.314 . . . . 3.6299999999999999 110.94 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -82.89 104.38 13.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.63 -0.878 . . . . 0.82999999999999996 108.63 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.57 -16.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.565 0.58 . . . . 0.83999999999999997 112.565 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -139.47 -90.63 0.19 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.826 -0.35 . . . . 1.74 110.842 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -128.74 -60.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.276 -0.265 . . . . 2.7200000000000002 111.191 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -115.95 -3.61 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 1.8400000000000001 110.543 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -84.55 120.61 26.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.633 -0.712 . . . . 2.25 111.16 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 pt -109.49 117.86 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.53000000000000003 109.856 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 22.6 t30 -94.13 122.87 37.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 1.8200000000000001 111.587 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 ' HB3' ' A' ' 28' ' ' TYR . 52.7 mt -100.75 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.676 -0.861 . . . . 0.68999999999999995 108.676 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.474 ' C ' ' HB2' ' A' ' 75' ' ' CYS . 14.6 t70 -114.63 -18.98 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.132 0.419 . . . . 2.4700000000000002 112.132 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.476 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 38.8 t60 -121.65 127.47 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.51 . . . . 2.1200000000000001 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.03 109.88 4.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.577 -0.738 . . . . 0.72999999999999998 109.857 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -115.42 133.39 10.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.8 -0.714 . . . . 0.69999999999999996 111.865 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 123.84 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.337 -0.246 . . . . 0.93000000000000005 110.337 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.322 -0.628 0 N-CA-C 109.649 -0.5 . . . . 1.8300000000000001 109.649 179.123 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.289 -0.324 . . . . 1.1100000000000001 112.289 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.02 -43.84 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 1.1399999999999999 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.69 88.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.85 -0.691 . . . . 0.58999999999999997 111.74 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -71.32 -34.22 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 2.02 110.368 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -61.06 -42.41 98.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.841 -0.618 . . . . 2.5699999999999998 110.237 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 15' ' ' ILE . 63.5 mt -69.11 -44.11 73.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.566 . . . . 0.85999999999999999 110.65 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 61' ' ' VAL . 30.9 tp -61.02 -42.14 97.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 1.29 110.125 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.89 -41.45 96.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 1.3899999999999999 110.216 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.89 97.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.56000000000000005 110.605 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.47 -47.78 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.44 109.999 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.8 t -61.66 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.589 . . . . 0.53000000000000003 110.742 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.3 mt-10 -62.56 -45.79 91.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.099 -0.5 . . . . 1.76 110.841 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.456 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.1 t60 -65.33 -33.59 76.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 1.04 110.372 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.72 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.84999999999999998 109.663 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -62.68 -34.51 77.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 3.1200000000000001 110.173 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 57.9 mt-10 -63.97 -34.7 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 1.8200000000000001 112.0 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -114.52 11.38 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.771 0.656 . . . . 1.3999999999999999 112.771 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 t30 58.72 43.99 17.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.409 0.623 . . . . 2.1800000000000002 111.028 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -89.26 158.54 17.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.78000000000000003 110.347 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.3 mptt -111.25 125.79 54.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.661 . . . . 3.0499999999999998 109.217 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 61' ' ' VAL . 57.7 mt -97.9 129.13 48.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.285 0.564 . . . . 0.85999999999999999 112.439 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -127.83 122.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.966 -1.124 . . . . 0.98999999999999999 107.966 177.191 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.52 109.38 19.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.226 0.454 . . . . 0.5 112.226 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -91.49 -20.3 21.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.848 -0.797 . . . . 0.93999999999999995 108.848 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.474 ' HB2' ' C ' ' A' ' 39' ' ' ASP . 5.6 t -62.29 132.67 53.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.147 -0.933 . . . . 1.3100000000000001 110.096 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -35.68 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.38 0.425 . . . . 1.1200000000000001 111.995 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -80.64 -54.99 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.279 . . . . 0.94999999999999996 111.132 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 75' ' ' CYS . . . -57.11 -38.11 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.5 111.847 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.18 -52.38 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 1.27 110.315 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.69 -32.2 73.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.294 -0.412 . . . . 1.21 110.989 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 64.3 mmm -62.23 -57.44 11.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 1.51 111.011 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 92' ' ' TYR . 4.8 mt -71.46 -16.82 62.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.952 -0.567 . . . . 0.57999999999999996 110.811 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.49 -36.18 65.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.719 . . . . 1.46 109.23 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -82.19 -44.59 16.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.235 -0.893 . . . . 2.3300000000000001 109.572 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 90.0 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.725 -0.67 . . . . 1.6000000000000001 111.237 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.86 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.461 -0.791 . . . . 2.6600000000000001 110.825 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -22.43 66.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.818 -0.628 . . . . 1.46 111.825 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -92.25 -5.44 52.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.666 0.269 . . . . 1.0 111.197 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -80.08 17.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.102 0.477 . . . . 2.4199999999999999 111.613 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.72 -32.04 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.696 -0.853 . . . . 2.4399999999999999 108.696 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.96 -20.09 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.54 -0.754 . . . . 0.87 109.849 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' HD13 ' A' ' 82' ' ' LEU . 41.8 t80 -87.94 135.76 33.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 1.1399999999999999 109.617 178.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.253 0.549 . . . . 1.4199999999999999 110.918 -179.886 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.767 0.317 . . . . 2.9100000000000001 110.79 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 59' ' ' ALA . 36.5 mt -72.79 101.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.707 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -86.73 119.99 27.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.939 -0.393 . . . . 2.23 109.939 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.8 150.42 47.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 2.52 110.925 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.97 17.7 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.324 -0.853 . . . . 1.04 111.112 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -67.47 96.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.9 0.381 . . . . 3.1899999999999999 110.761 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 32.34 20.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 1.3799999999999999 111.0 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 27' ' ' THR . 45.9 pttt -161.96 173.74 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.363 0.602 . . . . 0.93999999999999995 111.946 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -133.04 130.49 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.98 -1.009 . . . . 0.68999999999999995 108.34 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -137.18 159.85 40.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.393 0.616 . . . . 1.1599999999999999 111.76 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -130.98 120.93 48.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.358 -0.837 . . . . 0.92000000000000004 109.713 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.57 176.9 28.26 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.664 -0.575 . . . . 1.52 111.664 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.07 -57.85 6.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.894 0.378 . . . . 2.6200000000000001 110.632 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -135.57 166.31 23.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.754 -0.657 . . . . 1.6000000000000001 109.66 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.67 -23.95 65.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 2.7200000000000002 110.49 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.52 -22.23 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.347 0.594 . . . . 2.9199999999999999 109.907 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -137.11 63.39 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.682 -0.69 . . . . 2.4500000000000002 109.793 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 144.98 25.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 1.1899999999999999 110.418 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.9 mt -87.48 -22.96 24.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 1.3899999999999999 110.135 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -169.71 145.7 3.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.775 -0.648 . . . . 0.77000000000000002 111.085 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.13 137.32 12.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.18 0.514 . . . . 1.3300000000000001 110.635 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 tt -122.85 132.33 71.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.645 -0.707 . . . . 0.40999999999999998 109.479 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 12' ' ' LYS . 20.6 p -113.58 141.76 46.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.727 0.299 . . . . 0.59999999999999998 110.988 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -133.42 149.44 51.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.55 -0.537 . . . . 0.76000000000000001 109.55 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -136.48 159.67 41.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.927 0.394 . . . . 3.6299999999999999 110.749 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -97.31 109.2 22.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.005 -0.543 . . . . 0.82999999999999996 110.322 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.87 -32.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.945 0.402 . . . . 0.83999999999999997 111.176 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -135.69 -84.04 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 1.74 110.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -152.51 -57.64 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.137 0.494 . . . . 2.7200000000000002 110.521 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.97 17.26 23.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 1.8400000000000001 110.361 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -127.77 126.39 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.514 . . . . 2.25 109.807 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.3 pt -120.56 135.09 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.186 0.517 . . . . 0.53000000000000003 110.462 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 p-10 -113.34 140.79 47.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 1.8200000000000001 110.598 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -83.64 113.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 0.68999999999999995 109.534 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.37 -56.73 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 2.4700000000000002 110.398 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.669 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 8.1 p-80 -156.59 160.31 39.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 2.1200000000000001 111.496 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -134.33 96.82 3.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.426 -0.806 . . . . 0.72999999999999998 109.458 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -103.25 116.17 5.37 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.624 -0.798 . . . . 0.69999999999999996 112.707 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.9 t -126.87 136.85 59.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.151 -0.314 . . . . 0.93000000000000005 110.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.679 0.752 . . . . 1.8300000000000001 109.668 178.6 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.219 0 N-CA-C 112.672 -0.171 . . . . 1.1100000000000001 112.672 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.81 -25.63 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.888 0.329 . . . . 1.1399999999999999 111.888 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.11 96.57 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.895 -0.669 . . . . 0.58999999999999997 111.782 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -75.74 -36.89 59.78 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.93 0.395 . . . . 2.02 110.05 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.91 -44.8 95.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.697 -0.683 . . . . 2.5699999999999998 111.174 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 56' ' ' LEU . 19.6 mt -67.09 -44.25 80.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.85999999999999999 111.405 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD22 ' SD ' ' A' ' 81' ' ' MET . 34.8 tp -62.61 -37.48 86.42 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.693 -0.484 . . . . 1.29 109.693 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.63 -36.31 83.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.784 -0.644 . . . . 1.3899999999999999 110.669 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -59.77 -43.15 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.54 . . . . 0.56000000000000005 110.311 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.89 -47.87 66.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.621 -0.718 . . . . 0.44 110.528 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.24 -42.82 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.53000000000000003 111.473 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.0 tt0 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.76 110.11 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.409 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.3 t60 -63.41 -33.14 74.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.06 -0.518 . . . . 1.04 109.679 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.42 -35.93 78.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.594 -0.73 . . . . 0.84999999999999998 110.097 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -66.56 -41.14 89.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.585 -0.524 . . . . 3.1200000000000001 109.585 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 35.2 mt-10 -60.93 -55.77 29.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.924 -0.58 . . . . 1.8200000000000001 111.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.02 -1.67 53.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 1.3999999999999999 112.443 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 59.44 39.75 21.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.048 0.451 . . . . 2.1800000000000002 110.638 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.53 159.99 21.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.152 -0.476 . . . . 0.78000000000000003 111.047 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -91.98 138.86 31.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.009 -0.738 . . . . 3.0499999999999998 109.009 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 64' ' ' ALA . 30.5 mm -107.61 130.14 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.548 . . . . 0.85999999999999999 112.358 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -143.31 158.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.034 -1.098 . . . . 0.98999999999999999 108.034 177.381 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.34 35.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.958 -0.464 . . . . 0.5 111.936 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 m -85.55 -40.26 16.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.93999999999999995 110.16 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.669 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 85.0 m -74.35 129.83 38.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.524 . . . . 1.3100000000000001 110.972 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -32.86 69.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.062 -0.517 . . . . 1.1200000000000001 111.224 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -60.83 -59.67 5.01 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.726 0.298 . . . . 0.94999999999999996 110.447 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.89 85.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.5 110.759 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.5 tttm -61.74 -50.17 73.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 1.27 110.107 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -63.19 -31.57 72.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 1.21 110.04 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.405 ' SD ' HD22 ' A' ' 57' ' ' LEU . 25.9 ttt -66.36 -41.81 88.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.51 110.071 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.61 -31.38 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.742 -0.663 . . . . 0.57999999999999996 110.417 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 41.8 mt-10 -78.71 -31.74 46.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 1.46 110.812 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -73.64 -48.04 35.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 2.3300000000000001 110.087 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.52 92.32 8.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.174 -0.676 . . . . 1.6000000000000001 109.174 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.56 -9.64 4.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.579 -0.737 . . . . 2.6600000000000001 112.09 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.89 -22.27 66.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.792 0.33 . . . . 1.46 110.973 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -99.85 0.59 41.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.683 0.278 . . . . 1.0 110.715 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.21 -15.92 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 2.4199999999999999 111.882 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -67.77 -37.45 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 2.4399999999999999 110.579 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.11 -26.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.87 111.269 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -76.01 147.06 39.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.678 -0.49 . . . . 1.1399999999999999 109.678 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 1.4199999999999999 110.793 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 121.055 0.455 . . . . 2.9100000000000001 111.63 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.1 mt -80.39 99.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 1.0 109.804 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -89.19 138.66 31.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 2.23 109.627 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -112.49 135.5 53.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.039 0.447 . . . . 2.52 110.267 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.4 151.42 12.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.843 -0.617 . . . . 1.04 111.729 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 41.99 43.46 2.69 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.047 0.939 . . . . 3.1899999999999999 112.75 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 54.3 m-80 58.55 47.28 13.58 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.303 0.573 . . . . 1.3799999999999999 110.486 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.561 ' HB2' HG22 ' A' ' 27' ' ' THR . 19.2 ttpt -154.1 132.76 12.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.609 -0.723 . . . . 0.93999999999999995 111.302 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -103.33 118.71 37.38 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.68999999999999995 107.512 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -134.26 146.05 49.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.308 0.575 . . . . 1.1599999999999999 112.26 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.41 HD12 HG12 ' A' ' 52' ' ' VAL . 17.7 mt -110.63 119.64 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.115 -0.948 . . . . 0.92000000000000004 109.423 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.49 165.79 26.47 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.675 -0.774 . . . . 1.52 112.093 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -75.65 -32.27 60.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 2.6200000000000001 110.548 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 1.2 t70 -136.89 151.65 49.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.6000000000000001 110.266 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.7 -48.47 66.58 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.536 0.569 . . . . 2.7200000000000002 112.536 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.01 -26.08 60.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.288 0.566 . . . . 2.9199999999999999 110.559 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 22.9 m-80 -94.73 29.98 2.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.624 -0.716 . . . . 2.4500000000000002 110.78 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.1 115.82 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.001 -0.545 . . . . 1.1899999999999999 110.163 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.079 -0.51 . . . . 1.3899999999999999 109.945 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -152.03 136.14 16.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.902 -0.59 . . . . 0.77000000000000002 110.185 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -147.47 145.61 29.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.194 0.521 . . . . 1.3300000000000001 111.275 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -130.05 131.4 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.46 -0.941 . . . . 0.40999999999999998 108.46 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.561 HG22 ' HB2' ' A' ' 12' ' ' LYS . 14.0 p -112.71 140.92 47.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.794 0.33 . . . . 0.59999999999999998 111.695 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 39.6 p90 -145.18 147.39 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 0.76000000000000001 109.719 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 29' ' ' ARG . 48.3 mtm180 -129.12 144.28 51.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.716 0.293 . . . . 3.6299999999999999 111.042 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.837 -0.62 . . . . 0.82999999999999996 109.419 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -79.32 -31.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.916 -0.584 . . . . 0.83999999999999997 111.915 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -148.11 47.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 1.74 111.283 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.7 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.228 0.611 . . . . 2.7200000000000002 112.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 5.5 m120 -82.22 28.59 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.122 0.487 . . . . 1.8400000000000001 111.253 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -151.87 120.24 6.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.646 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 pt -116.33 134.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.24 0.543 . . . . 0.53000000000000003 111.005 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.3 t30 -103.95 120.39 40.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.618 -0.719 . . . . 1.8200000000000001 110.53 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.3 mt -81.01 119.63 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.293 -0.632 . . . . 0.68999999999999995 109.293 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.55 -63.8 1.26 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.581 -0.736 . . . . 2.4700000000000002 111.867 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -144.66 165.85 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 2.1200000000000001 112.176 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -137.98 107.09 6.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.977 -1.01 . . . . 0.72999999999999998 109.077 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.62 123.34 6.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.69999999999999996 112.236 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.59 133.69 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.655 0.264 . . . . 0.93000000000000005 110.491 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 1.8300000000000001 110.241 179.254 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 CA-C-O 120.446 -0.086 . . . . 1.1100000000000001 113.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 52' ' ' VAL . 1.4 t -69.88 -38.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 1.1399999999999999 110.043 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.89 -28.82 73.28 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.58999999999999997 112.097 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -66.55 -37.49 85.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.028 -0.36 . . . . 2.02 110.028 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.42 -40.66 81.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.119 0.485 . . . . 2.5699999999999998 110.193 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.07 -49.99 72.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 0.85999999999999999 110.662 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 tp -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 1.29 110.329 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -47.67 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.3899999999999999 109.876 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.0 96.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.56000000000000005 110.575 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.41 -52.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.951 -0.568 . . . . 0.44 110.843 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.497 HG11 ' CD1' ' A' ' 88' ' ' TYR . 69.2 t -61.36 -45.19 99.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.204 -0.453 . . . . 0.53000000000000003 110.746 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 30.0 tt0 -58.46 -52.57 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.818 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.35 -40.72 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 1.04 110.8 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.34 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.84999999999999998 110.803 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -61.03 -36.83 80.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.336 -0.393 . . . . 3.1200000000000001 111.171 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.7 mt-10 -65.53 -29.11 69.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 1.8200000000000001 111.513 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -107.46 13.1 27.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 1.3999999999999999 111.619 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 55.48 38.17 29.88 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.381 0.61 . . . . 2.1800000000000002 111.238 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 34' ' ' ASN . 31.6 mt -92.0 143.57 26.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.015 -0.539 . . . . 0.78000000000000003 109.911 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.782 ' HB3' HD22 ' A' ' 93' ' ' LEU . 26.4 mtmt -94.18 146.59 23.89 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.19 -0.67 . . . . 3.0499999999999998 109.19 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -116.24 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 112.85 0.685 . . . . 0.85999999999999999 112.85 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.511 HG23 HD21 ' A' ' 93' ' ' LEU . 1.2 pt -126.63 104.81 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.959 -1.019 . . . . 0.98999999999999999 109.035 177.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.23 39.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.811 0.339 . . . . 0.5 111.594 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 m -87.26 -21.07 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.215 0.531 . . . . 0.93999999999999995 110.13 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.04 127.5 32.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 1.3100000000000001 109.682 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.71 -38.28 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 1.1200000000000001 111.815 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.14 -55.78 16.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.94999999999999996 111.158 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.5 111.311 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -62.47 -41.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.27 110.225 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.64 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 1.21 110.542 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 84.1 mtp -68.99 -37.99 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 1.51 110.298 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.759 -0.655 . . . . 0.57999999999999996 111.621 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -76.63 -26.34 54.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.46 -0.336 . . . . 1.46 111.239 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -69.17 -34.29 74.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 2.3300000000000001 111.247 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -96.45 119.33 34.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.052 0.454 . . . . 1.6000000000000001 111.004 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.76 -37.87 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.565 -0.743 . . . . 2.6600000000000001 111.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -69.7 -25.53 63.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.142 -0.481 . . . . 1.46 111.75 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.497 ' CD1' HG11 ' A' ' 61' ' ' VAL . 11.9 m-30 -84.92 -18.11 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.42 . . . . 1.0 110.498 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.31 -10.14 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 2.4199999999999999 111.332 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.63 -41.23 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 2.4399999999999999 110.504 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.47 -25.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.87 110.936 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -76.16 130.32 38.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.1399999999999999 110.359 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 70' ' ' LYS . 1.8 pt? . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.102 -0.499 . . . . 1.4199999999999999 110.355 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.751 0.31 . . . . 6.9500000000000002 110.266 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -69.99 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.276 -0.42 . . . . 6.4699999999999998 110.434 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.91 150.14 16.86 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.51 -0.552 . . . . 3.3500000000000001 109.51 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mp -84.93 59.99 5.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.266 0.555 . . . . 2.4900000000000002 110.43 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -94.1 142.87 26.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.564 -0.744 . . . . 2.9100000000000001 109.852 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.5 mt -75.82 103.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 1.0 110.573 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 10.9 mmmm -86.87 135.34 33.36 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.825 -0.625 . . . . 2.23 109.705 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -102.0 138.42 38.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.234 0.54 . . . . 2.52 110.296 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.93 -160.35 10.26 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 110.871 -0.892 . . . . 1.04 110.871 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.18 89.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.188 -0.301 . . . . 3.1899999999999999 110.188 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 52.64 44.99 29.5 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.541 -0.754 . . . . 1.3799999999999999 110.143 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' CB ' HG22 ' A' ' 27' ' ' THR . 35.1 pttt -155.1 166.54 33.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.06 -0.518 . . . . 0.93999999999999995 111.258 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -128.77 135.9 49.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.835 -0.802 . . . . 0.68999999999999995 108.835 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 12.2 p90 -150.93 155.28 38.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.126 0.489 . . . . 1.1599999999999999 111.0 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.8 mt -137.09 131.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.92000000000000004 109.287 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.68 -160.6 31.73 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.489 -0.862 . . . . 1.52 112.532 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.15 -38.46 16.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.139 0.495 . . . . 2.6200000000000001 110.433 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -150.06 168.46 23.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.451 -0.795 . . . . 1.6000000000000001 109.149 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.87 -42.74 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 2.7200000000000002 110.459 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -78.4 -38.62 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.765 -0.652 . . . . 2.9199999999999999 110.649 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -94.37 44.38 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.742 -0.663 . . . . 2.4500000000000002 110.689 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.68 41.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.402 -0.817 . . . . 1.1899999999999999 110.066 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD22 HD13 ' A' ' 47' ' ' LEU . 87.7 mt -83.88 -38.46 21.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.211 0.529 . . . . 1.3899999999999999 109.853 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.37 127.47 17.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.54 -0.755 . . . . 0.77000000000000002 109.651 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -135.31 130.61 35.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.978 0.418 . . . . 1.3300000000000001 111.402 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.34 128.55 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.773 -0.649 . . . . 0.40999999999999998 109.272 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 16.2 p -116.77 148.08 41.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.863 0.363 . . . . 0.59999999999999998 111.628 -178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 41.6 p90 -140.37 164.45 30.09 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.199 -0.667 . . . . 0.76000000000000001 109.199 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.24 149.56 29.55 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.877 0.37 . . . . 3.6299999999999999 111.036 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -84.64 104.48 14.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.698 -0.683 . . . . 0.82999999999999996 109.595 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 m -76.96 -41.13 31.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.144 -0.48 . . . . 0.83999999999999997 112.235 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -123.02 -85.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.886 -0.326 . . . . 1.74 111.819 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -130.66 -56.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.377 0.51 . . . . 2.7200000000000002 112.377 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -122.54 10.82 9.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.867 0.365 . . . . 1.8400000000000001 111.237 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -100.87 124.58 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.201 -0.454 . . . . 2.25 110.85 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.9 pt -108.23 122.02 62.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.521 -0.763 . . . . 0.53000000000000003 109.921 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.509 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 38.7 t30 -99.61 128.56 45.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.157 -0.474 . . . . 1.8200000000000001 111.559 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.2 mt -105.92 108.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.154 -0.684 . . . . 0.68999999999999995 109.154 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -111.71 -35.79 5.65 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.947 -0.301 . . . . 2.4700000000000002 111.751 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 44.7 t60 -106.73 127.07 53.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.496 0.665 . . . . 2.1200000000000001 111.623 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -149.79 110.06 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.286 -0.87 . . . . 0.72999999999999998 109.16 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -130.41 133.6 7.43 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.018 -1.086 . . . . 0.69999999999999996 112.714 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.597 ' HB ' H142 ' A' ' 103' ' ' ACO . 38.4 t -128.34 146.84 33.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.928 -0.767 . . . . 0.93000000000000005 108.928 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -72.03 120.71 18.01 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.948 -0.301 . . . . 1.8300000000000001 110.226 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.79 -37.08 76.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.464 0.65 . . . . 3.1200000000000001 109.434 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -84.98 60.72 6.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.259 -0.882 . . . . 3.7999999999999998 109.937 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.477 HD13 HD22 ' A' ' 23' ' ' LEU . 59.7 tp -127.91 -68.33 0.78 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.662 -0.699 . . . . 4.4699999999999998 110.493 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.42 -58.47 0.7 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.707 -0.759 . . . . 3.8599999999999999 111.3 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -89.19 77.18 1.75 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.216 -0.754 . . . . 3.0499999999999998 111.216 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -75.24 2.24 11.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.727 0.299 . . . . 3.4399999999999999 111.688 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.64 -10.12 63.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.274 -0.488 . . . . 1.1100000000000001 112.389 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 49' ' ' GLY . 39.6 t -58.89 -33.96 51.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.406 . . . . 1.1399999999999999 110.8 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.96 -32.47 80.12 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.836 -0.62 . . . . 0.58999999999999997 112.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -66.51 -42.87 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.938 0.399 . . . . 2.02 110.119 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.74 -40.68 88.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.811 -0.631 . . . . 2.5699999999999998 111.033 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -60.68 -50.46 73.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.837 0.351 . . . . 0.85999999999999999 110.468 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' O ' HG23 ' A' ' 61' ' ' VAL . 23.2 tp -63.72 -41.72 98.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 1.29 110.508 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -58.95 -44.43 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 1.3899999999999999 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.09 79.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.56000000000000005 111.12 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.0 -47.57 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.44 110.002 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.2 t -61.81 -44.83 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.53000000000000003 111.031 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -58.78 -48.54 80.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.997 -0.547 . . . . 1.76 110.892 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 14.7 t60 -68.71 -31.05 69.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.555 . . . . 1.04 111.038 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.4 -44.48 87.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.219 -0.446 . . . . 0.84999999999999998 110.479 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.589 ' HD3' ' OD2' ' A' ' 90' ' ' ASP . 8.4 tpt180 -62.74 -34.79 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.365 -0.38 . . . . 3.1200000000000001 110.723 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.0 mt-10 -63.23 -47.83 80.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.8200000000000001 111.79 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -95.02 11.24 32.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.182 0.438 . . . . 1.3999999999999999 112.182 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.2 t30 59.29 37.79 23.45 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.401 0.62 . . . . 2.1800000000000002 111.369 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.4 mt -82.51 158.01 23.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.78000000000000003 110.644 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -107.2 131.32 54.29 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.895 -0.78 . . . . 3.0499999999999998 108.895 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mt -103.12 128.61 55.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.614 0.721 . . . . 0.85999999999999999 112.355 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.3 pt -134.46 143.67 37.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.436 -1.256 . . . . 0.98999999999999999 107.754 177.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -136.41 125.4 24.31 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 119.655 -0.818 . . . . 0.5 112.992 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -88.44 -19.1 26.97 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.727 -1.212 . . . . 0.93999999999999995 107.727 176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 77' ' ' PHE . 34.8 t -70.16 115.99 10.0 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.395 -1.275 . . . . 1.3100000000000001 110.4 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 m -59.49 -27.65 66.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.427 -0.352 . . . . 1.1200000000000001 111.089 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.511 ' CZ ' H143 ' A' ' 103' ' ' ACO . 74.7 t80 -74.01 -59.61 2.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.94999999999999996 110.915 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.94 -37.39 79.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.082 -0.508 . . . . 0.5 111.377 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.49 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 60.7 tttm -59.84 -46.57 88.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 1.27 110.353 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.433 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 64.7 t60 -64.66 -31.33 72.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.257 -0.429 . . . . 1.21 111.068 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 49.1 mtp -67.37 -37.09 82.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.179 0.514 . . . . 1.51 109.623 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.77 -32.51 67.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.452 -0.794 . . . . 0.57999999999999996 109.997 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 78.8 mt-10 -66.61 -36.53 82.83 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.406 0.622 . . . . 1.46 109.811 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -70.34 -50.18 41.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.123 -0.944 . . . . 2.3300000000000001 111.038 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.51 94.75 9.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.173 -0.467 . . . . 1.6000000000000001 110.78 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.56 -26.36 66.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.891 -0.595 . . . . 2.6600000000000001 110.618 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.27 68.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.795 -0.639 . . . . 1.46 111.661 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -90.56 -6.16 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 1.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -82.24 32.49 0.39 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.246 0.546 . . . . 2.4199999999999999 111.22 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.589 ' OD2' ' HD3' ' A' ' 65' ' ' ARG . 13.9 p-10 -106.0 -42.91 4.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.9 -0.778 . . . . 2.4399999999999999 108.9 178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.1 m -98.88 -21.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.409 0.623 . . . . 0.87 109.603 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -85.14 136.1 33.69 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.4 -0.818 . . . . 1.1399999999999999 109.17 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 69.5 mt -76.41 58.58 1.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.266 0.555 . . . . 1.4199999999999999 111.514 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.38 -15.93 63.3 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 110.495 -1.042 . . . . 3.6400000000000001 110.495 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -95.17 83.11 3.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.882 -0.659 . . . . 6.5 109.528 178.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.89 -54.02 4.03 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.361 -0.381 . . . . 5.1500000000000004 110.862 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -179.77 -32.65 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.367 0.506 . . . . 5.8799999999999999 112.367 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -99.73 -34.66 10.09 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.301 0.482 . . . . 6.29 112.301 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 95' ' ' LEU . 1.4 m80 58.36 -171.47 0.11 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.12 0.486 . . . . 10.4 112.217 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.477 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 1.5 t60 59.78 -92.85 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.405 -0.816 . . . . 10.369999999999999 111.61 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 23.2 t-80 -177.16 -53.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.999 -0.741 . . . . 9.4900000000000002 108.999 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.242 0.707 0 CA-C-O 118.668 -0.682 . . . . 12.66 109.734 178.822 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.704 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 mtt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.181 -0.303 . . . . 6.9500000000000002 110.181 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -85.8 80.1 9.06 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.466 -0.568 . . . . 6.4699999999999998 109.466 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -114.37 175.96 5.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.772 -0.649 . . . . 3.3500000000000001 110.553 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 mp 59.15 41.59 20.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.124 0.488 . . . . 2.4900000000000002 110.206 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -80.76 175.99 10.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.694 -0.685 . . . . 2.9100000000000001 110.523 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -80.09 98.93 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.816 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -87.87 114.39 24.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.129 -0.487 . . . . 2.23 110.068 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -75.57 142.53 42.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 2.52 111.598 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.6 -168.07 12.05 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.476 -1.049 . . . . 1.04 110.476 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.48 95.41 0.14 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.331 0.566 . . . . 3.1899999999999999 110.475 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.71 39.76 23.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.971 -0.558 . . . . 1.3799999999999999 110.39 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.535 ' HB3' HG22 ' A' ' 27' ' ' THR . 62.6 pttt -163.48 177.05 9.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.217 0.532 . . . . 0.93999999999999995 112.099 -178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -138.11 137.11 37.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.861 -1.163 . . . . 0.68999999999999995 107.861 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -144.08 156.13 44.24 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.4 -0.52 . . . . 1.1599999999999999 111.416 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.5 mt -120.94 118.06 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.92000000000000004 109.756 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.42 174.39 28.07 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 111.355 -0.698 . . . . 1.52 111.355 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -70.91 -55.26 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.925 0.393 . . . . 2.6200000000000001 110.813 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -125.63 156.45 39.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.933 -0.576 . . . . 1.6000000000000001 109.458 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -58.87 -33.54 70.6 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.042 0.214 . . . . 2.7200000000000002 111.399 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -72.97 -16.42 61.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.244 0.545 . . . . 2.9199999999999999 110.94 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -125.4 36.55 4.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.893 -0.594 . . . . 2.4500000000000002 110.102 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.92 113.63 13.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.573 -0.74 . . . . 1.1899999999999999 110.725 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.55 -38.6 81.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.363 0.602 . . . . 1.3899999999999999 109.665 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -144.78 137.87 26.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.065 -0.97 . . . . 0.77000000000000002 109.988 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -143.69 130.08 19.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.874 0.369 . . . . 1.3300000000000001 110.967 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.527 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -122.54 140.1 47.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.129 -0.693 . . . . 0.40999999999999998 109.129 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.535 HG22 ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -122.79 148.12 45.73 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.77 -0.196 . . . . 0.59999999999999998 110.996 -179.152 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -140.34 139.49 35.41 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.804 -0.443 . . . . 0.76000000000000001 109.804 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.27 158.43 41.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.511 -0.313 . . . . 3.6299999999999999 110.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -92.87 109.4 20.83 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.381 -0.372 . . . . 0.82999999999999996 110.309 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -75.22 -35.86 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.045 0.45 . . . . 0.83999999999999997 110.449 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -129.3 -80.0 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.853 -0.612 . . . . 1.74 110.2 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -161.93 -50.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 2.7200000000000002 110.387 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -101.61 13.79 33.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.488 0.661 . . . . 1.8400000000000001 110.079 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.09 130.92 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 2.25 110.412 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 pt -121.74 130.59 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 0.53000000000000003 110.704 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 2.3 p-10 -106.88 139.65 40.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.878 -0.601 . . . . 1.8200000000000001 110.505 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.5 mt -80.42 113.69 20.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.781 -0.645 . . . . 0.68999999999999995 109.478 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.18 -72.36 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.424 -0.807 . . . . 2.4700000000000002 110.707 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -139.17 155.29 47.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.159 -0.473 . . . . 2.1200000000000001 110.954 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -134.45 93.18 3.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.794 -0.639 . . . . 0.72999999999999998 109.877 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -99.79 97.44 1.78 Allowed Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.399 -0.905 . . . . 0.69999999999999996 112.254 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.654 ' HB ' H142 ' A' ' 103' ' ' ACO . 2.9 t -108.52 162.96 6.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.536 -0.542 . . . . 0.93000000000000005 109.536 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.26 134.97 57.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.056 0.455 . . . . 1.8300000000000001 111.024 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -19.0 65.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.694 -0.685 . . . . 3.1200000000000001 110.977 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.98 44.72 0.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.697 -0.683 . . . . 3.7999999999999998 110.991 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.9 mt 56.23 37.53 28.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.998 -0.546 . . . . 4.4699999999999998 111.305 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.41 -9.44 68.43 Favored Glycine 0 C--O 1.228 -0.24 0 C-N-CA 120.774 -0.727 . . . . 3.8599999999999999 112.336 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.13 7.33 71.75 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.868 -0.682 . . . . 3.0499999999999998 112.706 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -86.51 -20.36 28.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.948 0.404 . . . . 3.4399999999999999 110.081 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.67 -54.38 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.004 -0.617 . . . . 1.1100000000000001 112.314 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.93 -49.44 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.121 0.486 . . . . 1.1399999999999999 110.872 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.38 -38.36 94.87 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.913 -0.66 . . . . 0.58999999999999997 112.562 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HE3' ' SD ' ' A' ' 81' ' ' MET . 20.4 mtpt -65.03 -36.58 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.644 0.259 . . . . 2.02 110.598 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.68 -43.58 98.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 2.5699999999999998 110.66 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.47 -42.05 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.85999999999999999 110.472 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.717 HD13 ' HG2' ' A' ' 81' ' ' MET . 1.3 mt -64.22 -37.82 88.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.29 110.048 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -34.86 78.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.873 -0.603 . . . . 1.3899999999999999 110.468 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.32 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.56000000000000005 110.632 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.8 t -69.5 -43.74 80.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.77 -0.65 . . . . 0.44 109.955 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 57' ' ' LEU . 85.7 t -62.98 -35.86 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.857 -0.61 . . . . 0.53000000000000003 109.94 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.1 tp10 -62.84 -47.39 83.59 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.057 -0.52 . . . . 1.76 109.882 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 6.5 t60 -64.76 -33.5 76.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.666 . . . . 1.04 109.772 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.4 -36.26 83.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.651 -0.704 . . . . 0.84999999999999998 109.948 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.3 mtt-85 -75.62 -32.53 60.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 3.1200000000000001 110.302 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 58.2 mt-10 -63.46 -47.05 83.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 1.8200000000000001 111.946 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.488 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 6.6 m120 -103.44 2.51 33.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.006 0.373 . . . . 1.3999999999999999 112.006 -178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 61.12 46.36 8.22 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.109 0.48 . . . . 2.1800000000000002 111.111 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -89.27 159.48 17.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.725 -0.67 . . . . 0.78000000000000003 111.261 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -93.2 134.53 35.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.101 -0.703 . . . . 3.0499999999999998 109.101 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 mm -102.0 124.95 56.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.229 0.538 . . . . 0.85999999999999999 111.757 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -135.89 149.44 27.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 108.086 -1.079 . . . . 0.98999999999999999 108.086 177.292 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.71 138.7 52.87 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.506 -0.477 . . . . 0.5 112.147 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.1 m -95.35 -30.06 14.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.783 -0.644 . . . . 0.93999999999999995 110.031 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 151.55 28.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 1.3100000000000001 111.121 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -54.22 29.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 1.1200000000000001 111.959 -178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.452 ' CD2' H143 ' A' ' 103' ' ' ACO . 90.1 t80 -56.53 -49.82 73.65 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 111.917 0.34 . . . . 0.94999999999999996 111.917 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.46 -49.5 72.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.5 110.633 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 32.1 tttm -63.63 -44.82 92.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 1.27 110.699 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.472 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 35.6 t60 -58.69 -37.37 75.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 1.21 111.533 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.717 ' HG2' HD13 ' A' ' 57' ' ' LEU . 42.4 tpp -65.65 -42.57 91.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.068 0.461 . . . . 1.51 109.915 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -66.06 -30.26 70.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.375 -0.829 . . . . 0.57999999999999996 110.931 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.589 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 72.6 mt-10 -70.81 -32.32 69.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 1.46 110.556 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -84.65 -48.48 9.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.924 -0.58 . . . . 2.3300000000000001 111.853 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.44 105.65 6.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.113 0.483 . . . . 1.6000000000000001 110.867 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.825 -0.625 . . . . 2.6600000000000001 111.203 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -27.7 69.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 1.46 111.296 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -81.01 -24.09 38.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.489 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -67.67 -10.17 49.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.331 -0.395 . . . . 2.4199999999999999 110.797 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.18 -35.01 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.226 0.536 . . . . 2.4399999999999999 109.846 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.8 -28.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.424 -0.807 . . . . 0.87 110.874 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.465 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 16.6 t80 -77.72 134.01 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 1.1399999999999999 110.329 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.1 mt -79.8 80.57 6.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.995 -0.548 . . . . 1.4199999999999999 110.082 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.61 4.17 63.69 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.755 -0.657 . . . . 3.6400000000000001 112.717 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -34.48 78.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.953 0.406 . . . . 6.5 110.294 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -91.65 93.58 8.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 5.1500000000000004 109.84 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -133.96 42.77 2.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.285 0.564 . . . . 5.8799999999999999 110.511 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -69.6 128.5 36.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.502 -0.772 . . . . 6.29 110.329 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 73.1 t60 62.93 76.3 0.37 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.574 -0.739 . . . . 10.4 110.588 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -118.91 93.98 4.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.724 -0.671 . . . . 10.369999999999999 109.902 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -133.76 93.52 3.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.317 -0.401 . . . . 9.4900000000000002 111.057 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.652 -0.689 . . . . 12.66 109.633 179.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.736 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.839 0.352 . . . . 6.9500000000000002 110.532 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.8 -62.4 1.13 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.199 -0.455 . . . . 6.4699999999999998 110.049 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.447 ' OD1' ' HG2' ' A' ' 5' ' ' GLU . 12.8 t-20 -169.46 147.06 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.601 -0.727 . . . . 3.3500000000000001 109.445 179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.55 70.14 8.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.074 0.464 . . . . 2.4900000000000002 110.121 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 15' ' ' ILE . 5.7 mm-40 -110.35 142.52 41.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.67 -0.696 . . . . 2.9100000000000001 110.941 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.69 96.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.871 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.86 125.13 36.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.588 -0.523 . . . . 2.23 109.588 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -91.76 146.18 23.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.255 0.55 . . . . 2.52 110.937 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.3 -164.72 11.53 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.312 -1.115 . . . . 1.04 110.312 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -63.65 93.55 0.08 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.295 0.547 . . . . 3.1899999999999999 110.027 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 54.43 42.75 31.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.688 -0.687 . . . . 1.3799999999999999 110.454 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -158.14 168.08 28.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.735 -0.666 . . . . 0.93999999999999995 110.712 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' HB3' HD22 ' A' ' 56' ' ' LEU . 77.6 m-85 -134.22 139.5 45.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.824 -0.806 . . . . 0.68999999999999995 108.824 178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -152.99 149.55 28.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.183 0.516 . . . . 1.1599999999999999 111.643 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 5' ' ' GLU . 63.8 mt -135.15 132.92 53.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.267 -0.879 . . . . 0.92000000000000004 109.197 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.67 -148.73 9.94 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.403 -0.903 . . . . 1.52 112.407 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.68 -25.95 14.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.185 0.517 . . . . 2.6200000000000001 110.818 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -163.8 172.09 14.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.62 -0.718 . . . . 1.6000000000000001 109.489 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -53.07 -42.46 65.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 2.7200000000000002 110.728 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -86.39 -25.14 25.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.188 0.518 . . . . 2.9199999999999999 110.307 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -94.47 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 2.4500000000000002 109.802 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.18 108.33 15.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.523 -0.762 . . . . 1.1899999999999999 110.733 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 mt -65.79 -40.35 91.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 1.3899999999999999 109.925 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -130.38 121.6 26.27 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.488 -0.778 . . . . 0.77000000000000002 109.58 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -133.38 128.46 35.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.0 0.428 . . . . 1.3300000000000001 110.867 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.4 tt -129.27 117.71 44.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.537 -0.756 . . . . 0.40999999999999998 109.117 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.81 139.87 46.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.977 -0.556 . . . . 0.59999999999999998 111.189 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -140.6 173.74 11.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.938 -0.574 . . . . 0.76000000000000001 110.297 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.02 155.45 27.51 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.12 -0.326 . . . . 3.6299999999999999 110.12 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -82.56 115.45 21.54 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.308 -0.626 . . . . 0.82999999999999996 109.308 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -80.52 -41.74 20.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.424 -0.353 . . . . 0.83999999999999997 111.256 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -126.27 -86.99 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.749 -0.381 . . . . 1.74 111.447 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.76 -59.32 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.478 0.547 . . . . 2.7200000000000002 112.478 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -112.86 3.79 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.065 -0.254 . . . . 1.8400000000000001 111.51 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -99.69 124.86 45.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.009 0.433 . . . . 2.25 111.374 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 pt -108.49 121.62 61.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.618 -0.719 . . . . 0.53000000000000003 109.556 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.7 t30 -105.68 124.21 49.2 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.155 -0.475 . . . . 1.8200000000000001 111.455 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.8 mt -81.01 121.68 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.017 -0.734 . . . . 0.68999999999999995 109.017 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -91.02 -49.71 6.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.339 -0.392 . . . . 2.4700000000000002 111.888 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -129.71 146.89 51.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.417 0.627 . . . . 2.1200000000000001 111.557 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -144.74 102.94 3.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.093 -0.958 . . . . 0.72999999999999998 109.24 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.53 122.04 5.23 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.711 -0.757 . . . . 0.69999999999999996 112.256 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.494 ' HB ' H142 ' A' ' 103' ' ' ACO . 7.1 t -129.05 142.06 45.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 110.36 -0.237 . . . . 0.93000000000000005 110.36 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -78.68 92.44 4.76 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.856 0.836 . . . . 1.8300000000000001 109.764 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -75.41 -37.56 60.37 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 114.529 -1.214 . . . . 3.1200000000000001 111.527 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -70.69 -19.02 62.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 3.7999999999999998 110.568 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.38 -58.71 2.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.127 -0.488 . . . . 4.4699999999999998 110.577 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA2' HE22 ' A' ' 50' ' ' GLN . . . 141.38 63.92 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.488 -0.863 . . . . 3.8599999999999999 112.44 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.7 34.51 4.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.878 -0.677 . . . . 3.0499999999999998 112.034 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.476 HE22 ' HA2' ' A' ' 48' ' ' GLY . 24.2 mp0 -62.38 -56.74 15.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.836 0.35 . . . . 3.4399999999999999 110.851 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.14 -30.39 65.29 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.579 -0.819 . . . . 1.1100000000000001 111.743 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.1 t -62.34 -46.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.813 0.34 . . . . 1.1399999999999999 110.948 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.88 98.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.923 -0.656 . . . . 0.58999999999999997 112.294 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -66.53 -34.02 76.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 2.02 110.818 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.75 -39.19 73.43 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.428 -0.351 . . . . 2.5699999999999998 110.628 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' PHE . 9.9 mt -64.32 -42.62 96.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.677 -0.49 . . . . 0.85999999999999999 109.677 178.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.2 tp -65.26 -35.12 80.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.543 -0.753 . . . . 1.29 109.517 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -62.56 -41.51 98.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.509 -0.768 . . . . 1.3899999999999999 110.119 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.35 90.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.941 -0.572 . . . . 0.56000000000000005 110.287 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 36.5 t -65.42 -43.76 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 0.44 109.972 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.484 HG21 ' CG ' ' A' ' 88' ' ' TYR . 63.9 t -62.82 -48.41 88.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.725 -0.671 . . . . 0.53000000000000003 111.074 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.17 -44.49 96.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 1.76 110.52 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.506 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 55.1 t60 -66.81 -32.18 73.29 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.958 -0.564 . . . . 1.04 110.718 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.72 87.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.84999999999999998 110.079 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -61.08 -32.55 72.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.375 -0.375 . . . . 3.1200000000000001 110.696 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.506 ' OE2' ' HA ' ' A' ' 63' ' ' HIS . 44.0 mt-10 -58.1 -50.18 74.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 1.8200000000000001 111.333 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -100.97 14.45 31.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 1.3999999999999999 112.206 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.24 43.06 29.83 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.559 0.695 . . . . 2.1800000000000002 110.879 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 50.5 mt -90.42 155.15 19.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.447 -0.797 . . . . 0.78000000000000003 110.821 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.0 mptt -109.97 134.16 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.43 -0.952 . . . . 3.0499999999999998 108.43 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.8 mt -100.84 139.42 22.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 112.937 0.717 . . . . 0.85999999999999999 112.937 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -144.22 157.23 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.215 -1.357 . . . . 0.98999999999999999 107.398 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.68 139.66 26.71 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.062 -0.655 . . . . 0.5 112.746 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -87.04 -35.39 18.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.552 -0.749 . . . . 0.93999999999999995 109.199 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 124.43 23.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.665 -0.698 . . . . 1.3100000000000001 109.621 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 m -55.14 -38.5 68.32 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.264 0.468 . . . . 1.1200000000000001 112.264 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CE2' H143 ' A' ' 103' ' ' ACO . 83.2 t80 -61.28 -55.27 33.82 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.34 -0.144 . . . . 0.94999999999999996 111.089 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.48 96.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.855 0.36 . . . . 0.5 110.938 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HG2' ' OH ' ' A' ' 92' ' ' TYR . 6.6 tmtm? -61.1 -45.12 96.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 1.27 110.059 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 81.4 t60 -73.32 -24.08 60.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.83 -0.623 . . . . 1.21 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -52.72 44.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.773 0.32 . . . . 1.51 110.512 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -70.04 -26.89 64.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.421 0.629 . . . . 0.57999999999999996 110.122 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 27.3 tt0 -72.12 -38.56 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.986 -1.007 . . . . 1.46 110.812 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -80.48 -44.55 19.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.895 -0.593 . . . . 2.3300000000000001 110.7 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -74.07 101.5 3.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.105 -0.498 . . . . 1.6000000000000001 110.74 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.46 -26.94 68.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.823 -0.626 . . . . 2.6600000000000001 110.783 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -67.59 -15.98 63.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 1.46 111.919 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.484 ' CG ' HG21 ' A' ' 61' ' ' VAL . 19.3 m-30 -108.56 2.61 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 1.0 110.901 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -79.93 11.56 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.154 0.427 . . . . 2.4199999999999999 112.154 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.53 -25.67 21.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.588 0.232 . . . . 2.4399999999999999 110.642 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -122.62 -4.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.974 0.416 . . . . 0.87 111.009 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.531 ' OH ' ' HG2' ' A' ' 79' ' ' LYS . 22.9 t80 -91.11 133.49 35.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.176 -0.466 . . . . 1.1399999999999999 109.774 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt -83.55 45.9 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.206 -0.452 . . . . 1.4199999999999999 111.09 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -87.92 -21.27 47.11 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.735 -0.745 . . . . 3.6400000000000001 111.957 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -81.96 77.02 8.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.889 0.376 . . . . 6.5 110.19 179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.516 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -89.19 -56.36 3.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.446 -0.343 . . . . 5.1500000000000004 111.159 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.516 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 22.6 p80 -177.68 -38.79 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.022 0.379 . . . . 5.8799999999999999 112.022 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -85.97 -42.03 14.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.675 -0.41 . . . . 6.29 111.343 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.2 m170 56.68 -176.9 0.05 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.14 0.576 . . . . 10.4 112.438 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.1 t60 62.09 -84.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.105 -0.952 . . . . 10.369999999999999 112.605 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -167.42 -53.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 9.4900000000000002 109.981 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.561 -0.733 . . . . 12.66 110.154 -179.9 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.649 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 mtt . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 109.887 -0.412 . . . . 6.9500000000000002 109.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -75.54 87.32 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.965 0.412 . . . . 6.4699999999999998 109.917 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -156.2 142.94 18.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.87 -0.605 . . . . 3.3500000000000001 110.086 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.08 -100.13 0.44 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.179 -0.464 . . . . 2.4900000000000002 110.34 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 42.7 mt-10 69.18 137.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.346 0.658 . . . . 2.9100000000000001 111.711 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -81.03 84.21 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -72.86 126.64 30.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.777 -0.647 . . . . 2.23 109.867 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -109.71 126.08 53.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.049 0.452 . . . . 2.52 110.375 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.11 149.51 17.26 Favored Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.647 -0.706 . . . . 1.04 111.929 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 44.69 42.5 5.9 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.968 0.907 . . . . 3.1899999999999999 112.604 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 60.1 38.62 20.34 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.358 0.599 . . . . 1.3799999999999999 110.81 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -142.79 134.17 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.633 -0.712 . . . . 0.93999999999999995 110.835 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -100.52 115.01 29.12 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.331 -0.989 . . . . 0.68999999999999995 108.331 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -134.13 128.73 34.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.669 0.747 . . . . 1.1599999999999999 112.13 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 17.2 mt -91.36 119.75 39.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.127 -0.942 . . . . 0.92000000000000004 109.263 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.8 161.33 23.72 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.546 -0.835 . . . . 1.52 112.189 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -79.6 -11.64 59.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.334 0.588 . . . . 2.6200000000000001 110.991 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -157.31 156.98 33.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.813 -0.63 . . . . 1.6000000000000001 109.585 -179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.22 -43.11 74.2 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.063 0.394 . . . . 2.7200000000000002 112.063 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -87.45 4.5 43.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.12 0.486 . . . . 2.9199999999999999 110.567 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 5.7 m-80 -115.07 20.04 15.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.721 -0.672 . . . . 2.4500000000000002 109.935 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 109.49 1.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.629 -0.714 . . . . 1.1899999999999999 110.847 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mt -72.77 -38.26 67.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.931 -0.577 . . . . 1.3899999999999999 109.785 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.62 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -145.62 126.86 14.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.77000000000000002 110.164 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -139.7 147.79 41.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.353 0.597 . . . . 1.3300000000000001 112.05 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.9 tt -131.31 132.47 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.123 -0.944 . . . . 0.40999999999999998 108.559 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 p -113.17 136.32 52.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.209 0.528 . . . . 0.59999999999999998 112.304 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -136.15 138.76 42.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.76000000000000001 109.402 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.2 mtm105 -125.46 141.69 51.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.034 0.445 . . . . 3.6299999999999999 111.042 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -78.95 95.77 5.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.597 -0.729 . . . . 0.82999999999999996 109.604 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 m -81.71 -28.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.536 -0.302 . . . . 0.83999999999999997 110.925 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -144.3 33.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.603 -0.271 . . . . 1.74 110.993 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 67.85 -66.37 0.22 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.911 -0.586 . . . . 2.7200000000000002 111.533 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.437 ' HA ' HD22 ' A' ' 69' ' ' LEU . 2.3 m120 -90.45 18.79 5.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.18 0.514 . . . . 1.8400000000000001 110.003 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -138.54 115.37 10.76 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.303 -0.862 . . . . 2.25 109.209 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.31 124.98 69.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.034 0.445 . . . . 0.53000000000000003 110.767 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 8.4 t30 -105.8 118.48 36.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.824 -0.625 . . . . 1.8200000000000001 110.799 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -74.91 116.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.791 -0.818 . . . . 0.68999999999999995 108.791 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -78.74 -59.33 2.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 2.4700000000000002 111.591 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -141.19 167.86 21.16 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.522 -0.471 . . . . 2.1200000000000001 111.664 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -144.48 109.45 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.717 -0.674 . . . . 0.72999999999999998 109.97 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.37 93.45 0.66 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.847 -0.692 . . . . 0.69999999999999996 111.567 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.497 ' HB ' H142 ' A' ' 103' ' ' ACO . 11.8 t -99.82 150.74 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.763 0.316 . . . . 0.93000000000000005 111.309 -178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.22 141.23 58.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 1.8300000000000001 110.356 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.634 ' HA ' ' NE2' ' A' ' 50' ' ' GLN . 32.3 t70 -143.69 114.95 7.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.327 -0.397 . . . . 3.1200000000000001 111.069 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -121.82 -44.16 2.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.801 -0.636 . . . . 3.7999999999999998 110.511 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.83 -40.37 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.088 -0.505 . . . . 4.4699999999999998 110.632 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.495 ' HA2' ' OD1' ' A' ' 45' ' ' ASP . . . 118.5 1.34 15.65 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.707 -0.679 . . . . 3.8599999999999999 111.525 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.52 62.87 0.59 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.149 -0.548 . . . . 3.0499999999999998 111.924 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.634 ' NE2' ' HA ' ' A' ' 45' ' ' ASP . 1.4 mp0 -105.02 129.94 53.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.762 0.315 . . . . 3.4399999999999999 110.262 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.72 14.59 64.63 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.144 -0.551 . . . . 1.1100000000000001 112.651 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.17 -34.65 57.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.943 0.401 . . . . 1.1399999999999999 110.895 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.58 -29.47 75.26 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.8 -0.714 . . . . 0.58999999999999997 112.205 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 58' ' ' LYS . 18.9 mttt -68.03 -39.74 83.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.946 -0.39 . . . . 2.02 109.946 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -42.66 99.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.002 -0.544 . . . . 2.5699999999999998 110.381 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.06 -45.35 77.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 0.85999999999999999 110.807 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.0 tp -65.31 -39.1 92.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.911 -0.586 . . . . 1.29 110.335 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -60.78 -38.34 84.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.45 . . . . 1.3899999999999999 110.421 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.33 97.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.56000000000000005 110.452 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 49.8 t -65.62 -47.03 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.856 -0.611 . . . . 0.44 110.14 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.59 -41.97 89.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 116.068 -0.515 . . . . 0.53000000000000003 110.842 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -60.31 -53.61 55.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.719 -0.673 . . . . 1.76 110.933 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.565 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 2.8 t60 -66.14 -32.7 74.3 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.802 -0.635 . . . . 1.04 111.247 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.25 -47.71 81.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.535 . . . . 0.84999999999999998 111.102 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -62.57 -36.01 81.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.655 -0.248 . . . . 3.1200000000000001 111.14 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.565 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 52.2 mt-10 -58.26 -40.52 82.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.412 -0.358 . . . . 1.8200000000000001 111.496 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -105.69 8.8 33.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.33 -0.395 . . . . 1.3999999999999999 112.017 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 56.32 54.34 7.78 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.704 0.764 . . . . 2.1800000000000002 110.319 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 34' ' ' ASN . 33.8 mt -99.25 138.51 36.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.371 -0.831 . . . . 0.78000000000000003 110.924 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 93' ' ' LEU . 36.3 mtmt -82.82 132.26 35.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.932 -0.766 . . . . 3.0499999999999998 108.932 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.2 mt -105.8 128.46 59.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.378 0.609 . . . . 0.85999999999999999 112.558 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 2.3 pt -136.39 139.95 44.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.892 -1.049 . . . . 0.98999999999999999 108.538 178.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.92 138.97 53.38 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.799 -0.36 . . . . 0.5 111.447 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -94.84 -28.82 15.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.157 0.503 . . . . 0.93999999999999995 110.317 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 132.28 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.595 -0.73 . . . . 1.3100000000000001 110.341 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.64 -36.35 76.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 1.1200000000000001 111.776 -179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.511 ' CE2' H143 ' A' ' 103' ' ' ACO . 91.5 t80 -65.96 -57.34 8.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.734 0.302 . . . . 0.94999999999999996 111.16 -179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.9 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 0.5 111.027 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -62.28 -40.84 97.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.956 -0.566 . . . . 1.27 110.093 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -65.92 -37.08 85.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.865 -0.607 . . . . 1.21 110.387 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 36.7 mtp -68.55 -43.18 77.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.2 -0.454 . . . . 1.51 110.891 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.91 -35.28 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.57999999999999996 110.249 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -78.86 -20.93 48.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.886 -0.597 . . . . 1.46 111.23 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -82.49 -50.51 8.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.668 0.271 . . . . 2.3300000000000001 111.114 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -86.01 115.27 23.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.835 0.35 . . . . 1.6000000000000001 111.167 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -58.62 -32.13 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 2.6600000000000001 111.37 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -34.56 77.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.893 0.378 . . . . 1.46 110.898 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -88.8 -28.94 20.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.239 0.542 . . . . 1.0 109.734 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 9.8 tt0 -62.36 -19.47 63.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.443 -0.799 . . . . 2.4199999999999999 111.654 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -64.68 -49.13 72.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.732 0.301 . . . . 2.4399999999999999 111.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 91' ' ' VAL . 2.4 m -87.62 -12.4 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.892 0.377 . . . . 0.87 111.318 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 39.1 t80 -85.07 94.88 8.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.409 0.623 . . . . 1.1399999999999999 109.697 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.605 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? -78.66 -29.12 45.54 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.586 -0.734 . . . . 1.4199999999999999 110.373 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 66.68 -110.9 3.75 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.946 -0.645 . . . . 3.6400000000000001 112.019 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.62 119.01 26.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.023 0.44 . . . . 6.5 110.194 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.38 -23.33 62.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 5.1500000000000004 110.824 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -140.21 140.46 35.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.0 -0.545 . . . . 5.8799999999999999 109.768 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -63.48 103.4 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.802 -0.444 . . . . 6.29 109.802 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -94.47 139.12 31.56 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.845 -0.616 . . . . 10.4 111.486 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -90.93 119.87 31.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.827 -0.805 . . . . 10.369999999999999 108.827 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.2 p-80 -59.14 152.44 20.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.401 -0.363 . . . . 9.4900000000000002 110.83 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.384 -0.817 . . . . 12.66 110.126 179.896 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.511 H143 ' CE2' ' A' ' 77' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 mtt . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.619 0.247 . . . . 6.9500000000000002 110.373 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m -72.27 84.18 1.05 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.303 0.573 . . . . 6.4699999999999998 110.843 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -126.86 -170.01 2.13 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.193 -0.669 . . . . 3.3500000000000001 109.193 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.0 mp 58.29 37.62 26.02 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.6 0.714 . . . . 2.4900000000000002 109.966 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.64 168.99 12.53 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.105 -0.952 . . . . 2.9100000000000001 110.408 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.61 HD13 ' HB2' ' A' ' 59' ' ' ALA . 18.1 mt -77.42 97.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.312 0.577 . . . . 1.0 109.95 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -81.41 123.89 28.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.623 -0.717 . . . . 2.23 110.436 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -74.28 142.54 45.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.117 0.484 . . . . 2.52 110.672 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.3 -168.49 11.31 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.297 -0.721 . . . . 1.04 111.297 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.37 87.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 3.1899999999999999 111.229 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.23 39.48 30.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.554 0.693 . . . . 1.3799999999999999 110.089 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB3' HG22 ' A' ' 27' ' ' THR . 59.3 pttt -156.69 171.63 20.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.01 -0.996 . . . . 0.93999999999999995 110.91 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -130.31 127.76 40.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.548 -0.908 . . . . 0.68999999999999995 108.548 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -136.0 146.72 47.49 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.678 -0.409 . . . . 1.1599999999999999 111.131 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.2 mt -125.44 121.1 59.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.859 -0.61 . . . . 0.92000000000000004 109.778 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.76 -179.61 35.21 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.488 -0.645 . . . . 1.52 111.488 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -72.92 -49.36 29.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.031 0.443 . . . . 2.6200000000000001 110.743 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -134.76 164.26 27.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.714 -0.676 . . . . 1.6000000000000001 109.779 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.45 -23.93 62.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.756 0.313 . . . . 2.7200000000000002 111.198 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -88.42 -23.31 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.42 0.628 . . . . 2.9199999999999999 109.325 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -120.86 51.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.336 -0.847 . . . . 2.4500000000000002 109.242 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.35 148.04 22.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 1.1899999999999999 111.186 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.8 mt -74.99 -37.98 61.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.754 -0.832 . . . . 1.3899999999999999 108.754 178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.508 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -172.17 145.2 1.72 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.165 -0.925 . . . . 0.77000000000000002 110.662 179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -142.3 140.98 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.486 . . . . 1.3300000000000001 110.584 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 tt -121.35 136.62 57.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.912 -0.585 . . . . 0.40999999999999998 109.752 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.456 HG22 ' HB3' ' A' ' 12' ' ' LYS . 7.9 p -119.77 145.69 46.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.242 -0.435 . . . . 0.59999999999999998 110.289 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -140.53 153.63 46.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.739 0.304 . . . . 0.76000000000000001 110.408 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -135.3 158.97 43.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.123 -0.49 . . . . 3.6299999999999999 110.395 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -96.6 110.08 22.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.539 -0.541 . . . . 0.82999999999999996 109.539 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.1 m -78.73 -23.25 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.195 0.522 . . . . 0.83999999999999997 110.821 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -141.72 -88.73 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.764 -0.653 . . . . 1.74 109.275 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -151.47 -54.81 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 2.7200000000000002 110.575 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -102.0 12.6 36.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.316 0.579 . . . . 1.8400000000000001 110.305 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -122.38 121.06 35.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.82 -0.627 . . . . 2.25 110.234 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 pt -117.14 131.3 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.012 0.435 . . . . 0.53000000000000003 110.785 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -111.07 140.08 45.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.843 -0.617 . . . . 1.8200000000000001 110.05 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.38 114.35 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.13 -0.693 . . . . 0.68999999999999995 109.13 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.39 -74.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.575 -0.739 . . . . 2.4700000000000002 110.75 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' HB2' ' S1P' ' A' ' 103' ' ' ACO . 21.8 p-80 -137.66 156.79 47.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 2.1200000000000001 110.922 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.14 97.0 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.72999999999999998 110.795 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.78 119.91 5.89 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.49 -0.862 . . . . 0.69999999999999996 110.972 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.738 ' HB ' H142 ' A' ' 103' ' ' ACO . 27.1 t -128.99 137.98 55.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.647 0.26 . . . . 0.93000000000000005 110.732 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -85.08 152.86 23.09 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.895 -0.409 . . . . 1.8300000000000001 109.895 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -79.81 -28.44 40.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.293 0.568 . . . . 3.1200000000000001 109.834 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -71.47 83.37 0.81 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 3.7999999999999998 111.046 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.4 mt 57.24 38.58 28.8 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.815 -0.63 . . . . 4.4699999999999998 111.667 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.17 -56.59 0.83 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.55 -0.833 . . . . 3.8599999999999999 112.105 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.03 -14.03 79.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.859 -0.686 . . . . 3.0499999999999998 112.389 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -57.37 -54.54 45.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 3.4399999999999999 111.199 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.53 -33.77 0.21 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.424 -0.893 . . . . 1.1100000000000001 113.354 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.448 HG12 ' HB3' ' A' ' 24' ' ' ALA . 20.3 t -58.33 -45.4 89.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.909 0.355 . . . . 1.1399999999999999 111.411 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.05 -42.82 87.95 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 121.042 -0.599 . . . . 0.58999999999999997 112.711 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -69.66 -35.06 74.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.907 0.384 . . . . 2.02 110.552 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttt -65.22 -35.12 80.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 2.5699999999999998 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 24' ' ' ALA . 96.1 mt -63.13 -53.28 55.9 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.85999999999999999 110.321 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 mp -64.42 -30.65 71.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.724 -0.671 . . . . 1.29 110.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -58.85 -47.53 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 1.3899999999999999 110.176 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.61 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -61.28 -41.69 97.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.033 0.444 . . . . 0.56000000000000005 111.008 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.98 -47.13 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.44 110.152 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 73.4 t -63.35 -41.16 91.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.108 -0.496 . . . . 0.53000000000000003 110.373 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.9 mt-10 -58.48 -52.54 65.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 1.76 110.417 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.496 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.0 t60 -62.67 -31.76 72.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 1.04 110.52 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.2 -32.32 72.47 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.84999999999999998 110.049 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 35.5 mmt180 -74.75 -34.0 62.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.246 0.546 . . . . 3.1200000000000001 109.937 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 44.2 mt-10 -69.96 -50.6 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.531 -0.759 . . . . 1.8200000000000001 111.695 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -93.55 -4.4 51.05 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.362 0.505 . . . . 1.3999999999999999 112.362 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 62.91 44.26 6.27 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.098 0.475 . . . . 2.1800000000000002 110.533 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.01 153.25 21.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.511 -0.768 . . . . 0.78000000000000003 110.911 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.92 139.05 30.85 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.119 -0.697 . . . . 3.0499999999999998 109.119 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.466 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 38.7 mm -104.0 120.67 54.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.365 0.602 . . . . 0.85999999999999999 112.211 -178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -126.09 135.84 62.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 107.885 -1.154 . . . . 0.98999999999999999 107.885 177.557 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.4 120.62 38.14 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.871 0.693 . . . . 0.5 112.871 -177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -94.92 -32.27 13.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.333 -0.849 . . . . 0.93999999999999995 109.001 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 10.7 t -72.79 126.54 30.15 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.314 -0.857 . . . . 1.3100000000000001 109.858 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.0 -43.14 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.525 0.565 . . . . 1.1200000000000001 112.525 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.564 ' CG ' H143 ' A' ' 103' ' ' ACO . 81.2 t80 -60.43 -55.2 36.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.72 0.295 . . . . 0.94999999999999996 111.532 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -40.94 97.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.5 111.044 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -60.12 -41.18 92.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 1.27 110.51 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -65.11 -35.35 80.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.695 -0.684 . . . . 1.21 111.4 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.4 mtp -77.92 -43.33 30.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.815 0.341 . . . . 1.51 111.133 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 88' ' ' TYR . 25.1 mt -66.5 -28.51 68.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.57999999999999996 111.397 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.531 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 10.6 tt0 -85.29 -17.38 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.04 -0.527 . . . . 1.46 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -88.17 -53.62 4.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.289 -0.414 . . . . 2.3300000000000001 111.198 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -69.7 129.13 38.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.095 0.474 . . . . 1.6000000000000001 110.939 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -63.22 -44.14 96.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.612 -0.722 . . . . 2.6600000000000001 111.314 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.75 -29.5 70.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.16 -0.473 . . . . 1.46 111.203 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.536 ' HB3' HD23 ' A' ' 82' ' ' LEU . 10.9 m-30 -81.97 -28.79 32.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.484 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.531 ' NE2' ' HA ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -69.05 -14.23 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 2.4199999999999999 111.053 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -78.24 -34.94 48.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.172 -0.467 . . . . 2.4399999999999999 110.832 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.82 -36.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.035 0.445 . . . . 0.87 110.79 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 8.6 t80 -80.49 131.95 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.89 -0.595 . . . . 1.1399999999999999 110.23 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.7 mt -74.02 72.2 1.63 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.29 0.567 . . . . 1.4199999999999999 110.983 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.82 12.32 56.28 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.026 -0.607 . . . . 3.6400000000000001 112.022 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.462 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -72.79 -15.15 61.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.795 0.331 . . . . 6.5 111.231 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.54 66.52 0.97 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.149 0.499 . . . . 5.1500000000000004 110.494 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -89.96 51.2 2.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.446 0.641 . . . . 5.8799999999999999 110.33 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -67.4 123.16 19.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.179 -0.919 . . . . 6.29 110.583 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 t60 57.85 65.38 1.33 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.616 -0.72 . . . . 10.4 110.157 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -91.35 77.53 5.84 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.732 -0.667 . . . . 10.369999999999999 110.12 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -130.09 88.96 2.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.128 -0.487 . . . . 9.4900000000000002 110.271 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.223 -0.894 . . . . 12.66 109.557 -179.844 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.738 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.307 -0.257 . . . . 6.9500000000000002 110.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -58.58 122.48 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 6.4699999999999998 110.718 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -156.91 171.13 20.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.361 -0.381 . . . . 3.3500000000000001 110.168 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.09 51.47 2.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.105 0.479 . . . . 2.4900000000000002 111.276 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -90.9 149.84 21.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.908 -0.587 . . . . 2.9100000000000001 109.844 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.0 mt -76.92 104.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.567 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -88.07 117.95 27.3 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.279 -0.637 . . . . 2.23 109.279 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -88.6 124.06 33.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.863 -0.608 . . . . 2.52 112.157 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.4 -173.05 19.02 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 109.463 -1.455 . . . . 1.04 109.463 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.94 101.04 1.04 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 117.952 0.876 . . . . 3.1899999999999999 111.032 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 39.3 m-80 63.17 38.75 10.38 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.081 -0.963 . . . . 1.3799999999999999 111.353 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -163.15 153.91 16.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.93999999999999995 111.399 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -126.43 128.07 46.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.355 -0.98 . . . . 0.68999999999999995 108.355 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -136.57 147.9 47.25 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.317 -0.553 . . . . 1.1599999999999999 111.654 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG13 HD21 ' A' ' 56' ' ' LEU . 91.2 mt -122.2 124.03 70.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.558 -0.746 . . . . 0.92000000000000004 109.863 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.52 166.56 29.62 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 111.161 -0.776 . . . . 1.52 111.161 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -72.47 -28.27 62.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.917 0.358 . . . . 2.6200000000000001 110.449 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -140.93 161.2 38.39 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.713 -0.477 . . . . 1.6000000000000001 109.713 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -66.07 -37.61 86.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 2.7200000000000002 110.872 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -73.92 -29.52 62.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.018 0.437 . . . . 2.9199999999999999 110.097 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -102.71 44.71 1.0 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.216 0.531 . . . . 2.4500000000000002 110.366 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 105.71 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.955 -0.566 . . . . 1.1899999999999999 109.948 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.79 -40.01 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.105 -0.498 . . . . 1.3899999999999999 110.575 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -149.11 144.24 26.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.85 -0.614 . . . . 0.77000000000000002 109.904 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -151.29 149.93 29.94 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.052 0.453 . . . . 1.3300000000000001 110.979 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.3 tt -136.36 135.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.511 -0.768 . . . . 0.40999999999999998 109.097 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -114.69 139.47 49.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.724 0.297 . . . . 0.59999999999999998 111.035 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.4 p90 -138.57 162.94 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.544 -0.539 . . . . 0.76000000000000001 109.544 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -161.34 145.45 13.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.767 0.318 . . . . 3.6299999999999999 111.102 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -80.34 103.41 10.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.998 -0.546 . . . . 0.82999999999999996 110.06 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 m -90.67 -15.97 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.256 -0.429 . . . . 0.83999999999999997 111.051 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -137.37 -163.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.157 -0.682 . . . . 1.74 109.157 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -65.27 -43.56 90.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.559 0.218 . . . . 2.7200000000000002 111.056 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 34' ' ' ASN . 4.6 m120 -138.85 24.6 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.687 0.279 . . . . 1.8400000000000001 110.844 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 58.2 mt-10 -107.52 124.16 49.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.798 0.332 . . . . 2.25 110.641 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.2 pt -110.0 123.16 65.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.99 -0.55 . . . . 0.53000000000000003 110.439 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.637 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 20.2 t-20 -102.8 130.0 49.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.915 -0.584 . . . . 1.8200000000000001 110.993 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 96.3 mt -84.44 115.1 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.835 -0.621 . . . . 0.68999999999999995 109.407 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' O ' HH31 ' A' ' 103' ' ' ACO . 5.7 t70 -72.84 -68.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.321 -0.854 . . . . 2.4700000000000002 111.861 -178.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -144.24 159.56 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.117 0.484 . . . . 2.1200000000000001 111.397 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -139.58 113.62 8.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.35 -0.841 . . . . 0.72999999999999998 109.563 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -118.95 127.35 7.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.426 -0.892 . . . . 0.69999999999999996 112.134 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.7 130.25 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.999 -0.371 . . . . 0.93000000000000005 109.999 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.1 t -76.01 136.87 39.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.239 0.543 . . . . 1.8300000000000001 110.591 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -100.32 -3.58 30.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.473 -0.785 . . . . 3.1200000000000001 110.522 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -68.68 -24.64 64.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.224 0.535 . . . . 3.7999999999999998 110.703 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -86.66 -11.13 52.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 4.4699999999999998 109.949 179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.86 -103.12 0.72 Allowed Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.604 -0.725 . . . . 3.8599999999999999 111.766 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.13 45.52 0.16 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.609 -0.597 . . . . 3.0499999999999998 111.609 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -67.47 166.03 15.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.852 0.358 . . . . 3.4399999999999999 110.388 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -78.8 32.44 1.93 Allowed Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 121.251 -0.5 . . . . 1.1100000000000001 113.166 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.82 -41.43 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.02 0.438 . . . . 1.1399999999999999 110.201 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.14 -32.51 72.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.917 -0.659 . . . . 0.58999999999999997 111.838 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -70.82 -40.77 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.546 -0.539 . . . . 2.02 109.546 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -58.72 -40.81 84.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.242 -0.89 . . . . 2.5699999999999998 110.185 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD21 HG13 ' A' ' 15' ' ' ILE . 55.8 mt -70.1 -44.28 69.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.85999999999999999 111.234 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 61' ' ' VAL . 59.9 tp -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.774 0.321 . . . . 1.29 110.304 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 17.1 ttpp -62.49 -38.73 90.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 1.3899999999999999 110.583 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.08 78.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.828 0.347 . . . . 0.56000000000000005 110.861 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.5 t -72.88 -51.44 27.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.078 -0.51 . . . . 0.44 110.423 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.422 HG11 ' CE1' ' A' ' 88' ' ' TYR . 61.6 t -60.18 -38.75 78.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.095 -0.502 . . . . 0.53000000000000003 111.276 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.1 tt0 -57.99 -49.96 75.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.857 -0.61 . . . . 1.76 110.379 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 21.7 t60 -70.67 -30.43 67.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.787 -0.642 . . . . 1.04 110.699 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -62.65 -47.67 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.84999999999999998 110.018 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -61.66 -36.4 80.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.575 . . . . 3.1200000000000001 110.963 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 59.2 mt-10 -61.05 -40.94 95.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.297 -0.41 . . . . 1.8200000000000001 111.598 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -99.76 8.06 44.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.536 -0.302 . . . . 1.3999999999999999 111.518 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.1 m120 57.64 37.92 27.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.411 0.624 . . . . 2.1800000000000002 110.577 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 64' ' ' ALA . 69.0 mt -79.7 156.39 27.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.661 -0.699 . . . . 0.78000000000000003 110.987 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -101.33 132.98 46.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.791 -0.818 . . . . 3.0499999999999998 108.791 178.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.2 mt -106.3 133.41 50.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.459 0.647 . . . . 0.85999999999999999 112.631 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.637 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.1 pt -135.17 130.3 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.566 -1.272 . . . . 0.98999999999999999 107.566 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.43 124.03 37.49 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.551 0.574 . . . . 0.5 112.551 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.4 m -87.35 -24.61 24.21 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.337 -0.986 . . . . 0.93999999999999995 108.337 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 15.8 t -67.86 116.59 8.69 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.673 -1.149 . . . . 1.3100000000000001 109.703 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 m -55.74 -35.28 66.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 1.1200000000000001 111.748 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.44 -53.79 46.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.94999999999999996 110.744 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.59 93.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.5 110.737 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -56.7 -42.8 79.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.746 -0.661 . . . . 1.27 110.304 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -63.64 -41.23 98.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 1.21 111.767 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.496 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 3.7 ttm -77.72 -32.23 52.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.851 -0.34 . . . . 1.51 111.745 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD13 ' CD1' ' A' ' 92' ' ' TYR . 26.2 mt -70.17 -37.95 75.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.872 0.368 . . . . 0.57999999999999996 110.64 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.17 -15.45 47.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.155 -0.475 . . . . 1.46 110.792 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 81' ' ' MET . 12.1 tttm -51.54 -40.91 60.58 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.76 -0.654 . . . . 2.3300000000000001 111.239 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.21 141.4 51.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.992 -0.549 . . . . 1.6000000000000001 110.23 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -3.23 25.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.079 -0.51 . . . . 2.6600000000000001 110.657 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 m -68.76 -11.43 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.46 110.792 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.422 ' CE1' HG11 ' A' ' 61' ' ' VAL . 22.1 m-85 -115.76 11.36 15.63 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.843 179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.51 -24.71 60.19 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.929 0.344 . . . . 2.4199999999999999 111.929 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -80.45 -31.19 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.565 -0.454 . . . . 2.4399999999999999 111.102 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.74 -41.14 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.38 . . . . 0.87 111.46 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CD1' HD13 ' A' ' 82' ' ' LEU . 84.0 t80 -92.83 139.23 30.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.89 0.376 . . . . 1.1399999999999999 110.12 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.2 67.49 8.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.113 0.482 . . . . 1.4199999999999999 110.084 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -83.3 61.18 4.8 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.739 -0.664 . . . . 3.6400000000000001 112.436 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.9 tp -103.74 100.48 10.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.924 0.392 . . . . 6.5 110.222 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -71.8 133.29 45.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.779 -0.646 . . . . 5.1500000000000004 110.212 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -78.43 83.0 4.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.773 0.797 . . . . 5.8799999999999999 110.871 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -100.78 14.67 30.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.493 -0.776 . . . . 6.29 110.305 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -81.68 69.35 8.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 10.4 110.27 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -138.15 136.3 36.53 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.753 -0.658 . . . . 10.369999999999999 109.763 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -121.83 117.95 27.78 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.461 -0.336 . . . . 9.4900000000000002 110.743 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.687 -0.673 . . . . 12.66 110.04 179.576 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.682 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 mtm . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.725 0.298 . . . . 6.9500000000000002 110.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -78.06 79.52 4.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.115 0.483 . . . . 6.4699999999999998 111.148 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -140.09 153.86 46.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 3.3500000000000001 109.75 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.89 -101.75 0.4 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.214 -0.448 . . . . 2.4900000000000002 110.072 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 55.1 mt-10 67.62 137.23 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.22 0.608 . . . . 2.9100000000000001 111.933 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HA ' HG12 ' A' ' 15' ' ' ILE . 9.5 mt -83.23 81.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.694 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -71.87 128.35 35.48 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.839 -0.619 . . . . 2.23 109.628 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -109.62 122.08 46.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.243 0.544 . . . . 2.52 110.653 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.18 145.13 11.49 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.468 -0.787 . . . . 1.04 111.72 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 42.48 48.96 4.64 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.993 0.917 . . . . 3.1899999999999999 112.903 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 57.12 36.71 27.94 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.389 0.614 . . . . 1.3799999999999999 110.774 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HB2' HG22 ' A' ' 27' ' ' THR . 21.4 ttpt -141.83 129.16 21.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.512 -0.767 . . . . 0.93999999999999995 111.161 -179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -97.77 110.9 23.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.936 -1.135 . . . . 0.68999999999999995 107.936 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -122.96 119.5 30.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.571 0.7 . . . . 1.1599999999999999 111.279 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 5' ' ' GLU . 30.9 mt -91.36 112.6 25.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 108.737 -0.838 . . . . 0.92000000000000004 108.737 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.5 174.4 43.84 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.393 -0.908 . . . . 1.52 112.187 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.88 -13.92 43.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.125 0.488 . . . . 2.6200000000000001 111.146 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -155.37 159.29 39.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.414 -0.357 . . . . 1.6000000000000001 110.593 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -63.81 -27.53 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 2.7200000000000002 110.579 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 4.14 50.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.167 0.508 . . . . 2.9199999999999999 110.218 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -136.52 55.63 1.84 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.822 -0.626 . . . . 2.4500000000000002 110.279 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.08 127.64 36.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.146 -0.479 . . . . 1.1899999999999999 110.295 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.36 -23.26 57.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.452 0.644 . . . . 1.3899999999999999 109.263 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.49 135.94 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.36 -0.837 . . . . 0.77000000000000002 110.169 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -140.6 131.58 26.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.294 0.569 . . . . 1.3300000000000001 111.467 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.21 129.03 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.844 -0.798 . . . . 0.40999999999999998 108.844 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 12' ' ' LYS . 60.5 p -115.51 136.79 52.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.99 0.424 . . . . 0.59999999999999998 111.457 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -134.73 135.84 42.24 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.147 -0.686 . . . . 0.76000000000000001 109.147 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -117.98 142.41 47.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.955 0.407 . . . . 3.6299999999999999 111.423 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -83.73 102.51 12.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.642 -0.708 . . . . 0.82999999999999996 109.851 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.0 m -88.91 -29.81 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.74 0.305 . . . . 0.83999999999999997 111.581 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 40.6 t0 -145.46 37.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 1.74 110.276 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 63.23 -73.03 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.471 -0.786 . . . . 2.7200000000000002 112.523 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.418 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 12.8 m120 -80.59 12.85 2.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.893 0.378 . . . . 1.8400000000000001 110.999 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 5.0 mt-10 -133.64 113.74 12.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.482 -0.562 . . . . 2.25 109.482 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.8 pt -111.44 123.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.53000000000000003 111.051 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 5.2 t30 -105.01 122.49 45.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.836 -0.62 . . . . 1.8200000000000001 110.524 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.551 HG22 ' SG ' ' A' ' 75' ' ' CYS . 82.9 mt -74.7 115.44 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.291 -0.633 . . . . 0.68999999999999995 109.291 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -74.61 -59.81 2.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.65 -0.705 . . . . 2.4700000000000002 111.219 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -143.96 159.88 41.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.024 0.44 . . . . 2.1200000000000001 111.399 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -145.59 105.16 3.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.525 -0.761 . . . . 0.72999999999999998 109.058 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -116.06 143.33 18.04 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.415 -0.897 . . . . 0.69999999999999996 112.614 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.98 125.27 45.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.75 -0.463 . . . . 0.93000000000000005 109.75 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.8 96.07 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.405 0.621 . . . . 1.8300000000000001 109.537 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 60.4 t0 -148.1 111.13 4.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.555 -0.748 . . . . 3.1200000000000001 110.536 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.49 -1.83 52.8 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.794 -0.639 . . . . 3.7999999999999998 110.539 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.79 -51.75 4.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.165 -0.471 . . . . 4.4699999999999998 109.934 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' H ' ' CG ' ' A' ' 45' ' ' ASP . . . 102.74 68.43 0.79 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.807 -0.711 . . . . 3.8599999999999999 112.384 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 175.08 11.59 0.02 OUTLIER Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.677 -0.773 . . . . 3.0499999999999998 113.474 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -61.9 130.08 43.99 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 117.077 0.439 . . . . 3.4399999999999999 111.014 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' HD3' ' A' ' 54' ' ' LYS . . . -88.89 -2.9 77.57 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 121.007 -0.616 . . . . 1.1100000000000001 113.156 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.8 m -59.69 -31.11 46.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.877 0.325 . . . . 1.1399999999999999 111.877 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.56 81.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.926 -0.654 . . . . 0.58999999999999997 112.514 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HD3' ' HA2' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -73.1 -41.51 63.96 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.259 -0.274 . . . . 2.02 110.259 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -63.53 -34.73 78.43 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.244 -0.435 . . . . 2.5699999999999998 110.811 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.1 mt -64.06 -52.71 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.835 -0.62 . . . . 0.85999999999999999 110.529 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -64.95 -37.17 86.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.84 -0.618 . . . . 1.29 110.786 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.04 -39.69 82.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.3899999999999999 110.424 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.68 94.44 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.224 -0.444 . . . . 0.56000000000000005 110.65 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.28 -49.01 81.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.92 -0.582 . . . . 0.44 110.458 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.63 -44.81 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.53000000000000003 111.039 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -61.4 -45.97 92.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 1.76 110.765 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -67.34 -38.4 84.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.118 -0.492 . . . . 1.04 110.901 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.85 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.84999999999999998 111.267 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -68.6 -43.52 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.917 0.389 . . . . 3.1200000000000001 110.871 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -74.1 -35.77 64.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.125 -0.489 . . . . 1.8200000000000001 112.121 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -94.42 1.41 55.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.368 0.507 . . . . 1.3999999999999999 112.368 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 54.06 64.57 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.686 0.755 . . . . 2.1800000000000002 109.801 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.4 mt -112.16 138.35 48.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.496 -0.775 . . . . 0.78000000000000003 111.195 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.52 ' HB3' HD21 ' A' ' 93' ' ' LEU . 30.5 mtmt -84.99 124.18 31.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.242 -0.89 . . . . 3.0499999999999998 108.947 178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.0 mt -95.67 132.23 40.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.486 0.66 . . . . 0.85999999999999999 112.393 -177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.2 pt -139.62 130.03 31.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 107.895 -1.15 . . . . 0.98999999999999999 107.895 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.29 145.3 48.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.498 0.555 . . . . 0.5 112.498 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -112.59 -8.16 13.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.533 -0.758 . . . . 0.93999999999999995 110.066 178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.551 ' SG ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -91.29 136.34 33.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.74 -0.664 . . . . 1.3100000000000001 110.524 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.63 -47.47 76.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.832 -0.622 . . . . 1.1200000000000001 112.179 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.439 ' CG ' H143 ' A' ' 103' ' ' ACO . 60.0 t80 -62.52 -54.69 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.556 -0.293 . . . . 0.94999999999999996 111.764 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.09 90.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.376 -0.375 . . . . 0.5 111.073 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.67 -46.73 88.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.27 110.253 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -60.32 -43.42 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 1.21 110.477 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mmm -65.07 -45.1 86.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.113 -0.494 . . . . 1.51 111.574 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 92' ' ' TYR . 33.3 mt -65.55 -37.15 85.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.384 . . . . 0.57999999999999996 111.002 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -79.44 -15.99 56.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.46 110.797 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -80.89 -52.69 7.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.862 -0.608 . . . . 2.3300000000000001 109.901 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -79.82 112.26 16.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.616 -0.72 . . . . 1.6000000000000001 110.481 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.34 -32.31 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.013 0.435 . . . . 2.6600000000000001 110.867 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -25.95 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.982 -0.554 . . . . 1.46 111.578 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -89.05 -17.55 29.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.771 0.319 . . . . 1.0 111.05 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -74.15 -3.22 28.38 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.577 0.584 . . . . 2.4199999999999999 112.577 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -81.15 -28.47 35.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.751 -0.463 . . . . 2.4399999999999999 109.751 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 1.2 m -106.79 -16.78 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.891 -0.595 . . . . 0.87 110.99 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.495 ' CD1' HD13 ' A' ' 82' ' ' LEU . 64.5 t80 -99.0 128.41 45.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.948 -0.569 . . . . 1.1399999999999999 110.291 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -114.91 -39.29 3.72 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.099 -0.501 . . . . 1.4199999999999999 110.261 179.394 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 75.12 -142.28 29.22 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.802 -0.713 . . . . 3.6400000000000001 111.808 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.5 133.5 35.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.961 -0.385 . . . . 6.5 109.961 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -85.03 -7.51 59.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.482 0.658 . . . . 5.1500000000000004 110.289 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -149.59 143.46 25.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.297 -0.865 . . . . 5.8799999999999999 108.692 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -69.22 94.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.34 0.591 . . . . 6.29 109.617 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -88.88 124.7 34.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.182 -0.917 . . . . 10.4 110.553 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -71.77 127.03 31.27 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.124 -0.695 . . . . 10.369999999999999 109.124 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -55.46 148.15 16.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 9.4900000000000002 111.256 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.69 -0.671 . . . . 12.66 110.246 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.748 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.881 -0.414 . . . . 6.9500000000000002 109.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -86.41 84.24 7.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.452 0.644 . . . . 6.4699999999999998 110.421 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -143.44 131.79 22.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.356 -0.838 . . . . 3.3500000000000001 110.104 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.72 -101.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.451 -0.341 . . . . 2.4900000000000002 110.793 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 67.19 125.88 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.31 0.644 . . . . 2.9100000000000001 111.477 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.43 96.47 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -85.44 131.31 34.4 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.884 -0.598 . . . . 2.23 109.576 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -111.81 128.75 56.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.906 0.384 . . . . 2.52 110.375 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.76 145.51 10.93 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.818 -0.706 . . . . 1.04 112.447 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 39.75 52.8 2.52 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.216 1.007 . . . . 3.1899999999999999 113.259 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 82.9 m-20 59.14 38.17 23.81 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.953 -0.567 . . . . 1.3799999999999999 111.628 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB2' HG22 ' A' ' 27' ' ' THR . 29.8 ttpt -146.97 136.89 23.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.176 -0.465 . . . . 0.93999999999999995 111.144 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -105.58 117.04 33.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.991 -1.114 . . . . 0.68999999999999995 107.991 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -132.08 136.42 47.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.52 0.676 . . . . 1.1599999999999999 111.563 -178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.8 mt -104.03 123.04 57.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.302 -0.863 . . . . 0.92000000000000004 109.559 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.54 165.61 29.04 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.826 -0.625 . . . . 1.52 111.725 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.38 -14.06 58.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.243 0.544 . . . . 2.6200000000000001 110.897 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -155.4 156.59 35.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.834 -0.621 . . . . 1.6000000000000001 109.662 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.81 -39.06 73.47 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.197 0.443 . . . . 2.7200000000000002 112.197 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.69 3.29 51.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.397 0.617 . . . . 2.9199999999999999 110.705 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -118.6 30.06 7.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.394 -0.821 . . . . 2.4500000000000002 109.033 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.02 101.79 2.28 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.973 -1.012 . . . . 1.1899999999999999 110.197 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.25 -34.17 75.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.772 -0.649 . . . . 1.3899999999999999 110.045 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 56' ' ' LEU . . . -143.94 127.19 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.578 -0.737 . . . . 0.77000000000000002 110.008 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -140.66 136.17 32.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.481 0.658 . . . . 1.3300000000000001 111.505 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 tt -124.72 130.76 73.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.276 -0.874 . . . . 0.40999999999999998 108.686 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 12' ' ' LYS . 25.2 p -110.88 135.89 50.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.875 0.369 . . . . 0.59999999999999998 111.583 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 35.7 p90 -134.29 136.68 43.71 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.334 -0.617 . . . . 0.76000000000000001 109.334 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.0 mtm105 -117.33 141.96 47.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.399 -0.364 . . . . 3.6299999999999999 111.325 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -82.11 85.87 6.7 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.891 -0.781 . . . . 0.82999999999999996 108.891 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -74.12 -23.55 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 0.83999999999999997 112.02 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.77 40.92 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.928 0.394 . . . . 1.74 110.519 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 65.8 -68.0 0.13 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.662 -0.699 . . . . 2.7200000000000002 112.028 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.84 -17.6 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.196 0.522 . . . . 1.8400000000000001 110.242 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -94.97 118.88 32.55 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.801 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.7 pt -112.37 122.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.194 0.521 . . . . 0.53000000000000003 111.051 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' HA ' HG13 ' A' ' 72' ' ' ILE . 8.5 t30 -103.36 117.07 33.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.597 -0.729 . . . . 1.8200000000000001 111.067 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 73' ' ' ALA . 81.8 mt -74.94 119.4 22.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.038 -0.727 . . . . 0.68999999999999995 109.038 178.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.67 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 2.4700000000000002 111.344 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -144.49 172.7 12.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 2.1200000000000001 111.66 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.7 m -148.34 101.37 3.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.72999999999999998 109.26 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.08 131.61 10.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.342 -0.933 . . . . 0.69999999999999996 113.153 -178.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.564 ' HB ' H142 ' A' ' 103' ' ' ACO . 98.3 t -136.89 132.05 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.847 -0.427 . . . . 0.93000000000000005 109.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -76.07 128.85 35.84 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.036 -0.357 . . . . 1.8300000000000001 110.036 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -85.84 91.51 8.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.526 0.679 . . . . 3.1200000000000001 110.101 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -84.48 -53.16 5.61 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.358 -0.837 . . . . 3.7999999999999998 111.401 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -140.16 11.63 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 4.4699999999999998 111.761 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.64 -45.0 3.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.639 -0.791 . . . . 3.8599999999999999 112.781 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.33 61.26 4.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.119 -0.562 . . . . 3.0499999999999998 112.238 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -89.52 90.87 8.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.041 0.448 . . . . 3.4399999999999999 111.258 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -75.72 -11.64 84.38 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.893 -0.67 . . . . 1.1100000000000001 111.751 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 2.4 m -57.52 -36.41 53.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 122.479 0.312 . . . . 1.1399999999999999 111.38 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.44 -42.67 99.82 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.819 -0.705 . . . . 0.58999999999999997 111.631 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.82 -34.55 73.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.102 0.477 . . . . 2.02 109.864 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -36.68 85.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.563 -0.744 . . . . 2.5699999999999998 110.339 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 52' ' ' VAL . 75.1 mt -61.52 -55.65 28.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.127 -0.488 . . . . 0.85999999999999999 110.764 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.4 mp -60.22 -36.84 78.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.734 -0.667 . . . . 1.29 111.122 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -42.34 91.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 1.3899999999999999 110.372 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.28 76.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.56000000000000005 110.621 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.0 -50.23 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.069 -0.514 . . . . 0.44 110.541 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.9 t -61.41 -38.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.614 . . . . 0.53000000000000003 111.203 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -60.84 -55.64 30.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.87 0.366 . . . . 1.76 110.521 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -62.64 -36.02 81.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.997 -0.547 . . . . 1.04 110.677 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -64.09 -51.02 66.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.149 -0.478 . . . . 0.84999999999999998 110.645 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -59.76 -42.26 92.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.389 -0.369 . . . . 3.1200000000000001 111.45 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -65.75 -30.72 71.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.23 0.456 . . . . 1.8200000000000001 112.23 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.31 9.94 35.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.671 0.249 . . . . 1.3999999999999999 111.671 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 55.05 45.16 26.86 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.586 0.707 . . . . 2.1800000000000002 110.759 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 64' ' ' ALA . 68.3 mt -92.32 144.17 25.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.669 . . . . 0.78000000000000003 110.676 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB3' HD22 ' A' ' 93' ' ' LEU . 45.5 mtmt -91.79 128.24 37.55 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.852 -0.796 . . . . 3.0499999999999998 108.852 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.6 mt -99.35 122.12 50.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 113.239 0.829 . . . . 0.85999999999999999 113.239 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.446 HG13 ' HA ' ' A' ' 37' ' ' ASN . 2.9 pt -132.39 118.48 35.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.999 -1.0 . . . . 0.98999999999999999 108.48 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 38' ' ' ILE . . . -105.87 140.01 39.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 111.978 0.362 . . . . 0.5 111.978 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -92.6 -31.63 15.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.77 -0.65 . . . . 0.93999999999999995 110.012 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.65 128.43 35.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.738 -0.664 . . . . 1.3100000000000001 110.481 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -60.47 -31.03 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 1.1200000000000001 111.235 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.62 -59.08 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.94999999999999996 110.675 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.01 -36.7 84.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.5 111.003 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 43.8 tttm -59.92 -47.02 87.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 1.27 110.45 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' HA ' ' OE1' ' A' ' 83' ' ' GLU . 61.4 t60 -66.07 -31.02 71.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 1.21 111.252 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 39.1 mtp -65.06 -36.79 85.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.918 0.39 . . . . 1.51 110.124 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.6 mt -73.01 -20.46 61.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.705 -0.68 . . . . 0.57999999999999996 110.532 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 59.9 mt-10 -84.66 -40.93 16.83 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.53 . . . . 1.46 110.312 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -67.82 -43.81 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.502 -0.772 . . . . 2.3300000000000001 111.036 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -83.38 110.66 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.056 0.455 . . . . 1.6000000000000001 110.313 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.5 -29.68 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.544 . . . . 2.6600000000000001 111.27 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -68.95 -22.82 64.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.419 . . . . 1.46 110.821 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.46 -29.05 19.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.566 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -59.35 -18.78 41.24 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.098 -0.501 . . . . 2.4199999999999999 112.119 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.18 -51.68 35.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.609 0.242 . . . . 2.4399999999999999 111.091 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.8 m -87.27 -23.67 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.87 111.275 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -80.01 124.1 28.41 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.571 -0.529 . . . . 1.1399999999999999 109.571 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.602 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.2 pt? -112.6 -28.83 7.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.435 -0.348 . . . . 1.4199999999999999 110.605 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 63.36 -126.48 35.83 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.957 -0.639 . . . . 3.6400000000000001 112.027 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.7 127.41 53.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.702 0.287 . . . . 6.5 110.274 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -76.72 -26.21 54.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.433 0.635 . . . . 5.1500000000000004 109.52 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -145.21 139.13 26.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.213 -0.903 . . . . 5.8799999999999999 109.782 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -64.15 101.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.797 -0.446 . . . . 6.29 109.797 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -96.75 129.31 44.19 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.207 -0.452 . . . . 10.4 110.634 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -64.1 126.2 26.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.114 -0.494 . . . . 10.369999999999999 110.05 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -65.11 158.28 26.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.303 -0.408 . . . . 9.4900000000000002 110.515 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.656 -0.688 . . . . 12.66 109.916 179.698 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.564 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 tpt . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.919 -0.401 . . . . 6.9500000000000002 109.919 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 m 67.42 -79.43 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.632 -0.713 . . . . 6.4699999999999998 110.455 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 10.6 p30 -170.67 22.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.648 -0.501 . . . . 3.3500000000000001 109.648 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.5 mt -79.58 -6.83 57.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.639 -0.71 . . . . 2.4900000000000002 112.173 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -71.74 117.05 12.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.68 0.276 . . . . 2.9100000000000001 110.6 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.569 HG12 HD11 ' A' ' 15' ' ' ILE . 39.8 mt -60.81 115.88 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -91.47 140.41 29.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.127 -0.488 . . . . 2.23 110.279 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -90.87 142.09 28.14 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.037 -0.529 . . . . 2.52 110.349 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.12 -175.65 14.04 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.448 -0.661 . . . . 1.04 111.448 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.88 95.87 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.951 0.376 . . . . 3.1899999999999999 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.53 35.37 20.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.61 -0.723 . . . . 1.3799999999999999 110.581 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -159.94 170.89 20.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.582 . . . . 0.93999999999999995 111.586 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -135.11 138.99 44.33 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.395 -0.965 . . . . 0.68999999999999995 108.395 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -141.09 149.29 41.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.217 0.532 . . . . 1.1599999999999999 111.915 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.569 HD11 HG12 ' A' ' 6' ' ' ILE . 48.9 mt -128.49 128.38 68.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.241 -0.891 . . . . 0.92000000000000004 109.045 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 3' ' ' ASN . . . 160.9 -163.87 34.44 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.241 -0.98 . . . . 1.52 112.339 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -64.92 -45.64 85.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.815 0.341 . . . . 2.6200000000000001 111.709 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -161.1 174.13 14.15 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.681 -0.488 . . . . 1.6000000000000001 109.681 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.7 -33.52 75.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.196 -0.668 . . . . 2.7200000000000002 109.196 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -84.63 -11.8 55.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.668 -0.696 . . . . 2.9199999999999999 110.653 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -132.69 48.83 2.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.878 -0.601 . . . . 2.4500000000000002 109.958 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 130.96 37.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.146 0.498 . . . . 1.1899999999999999 111.916 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.4 mt -81.67 -57.59 3.38 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.43 -0.952 . . . . 1.3899999999999999 108.43 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.56 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.135 -0.939 . . . . 0.77000000000000002 109.503 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -147.92 143.3 27.26 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.089 0.471 . . . . 1.3300000000000001 111.036 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.45 HG21 ' HB3' ' A' ' 56' ' ' LEU . 20.5 tt -137.75 129.84 40.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.579 -0.737 . . . . 0.40999999999999998 109.389 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 40' ' ' HIS . 76.4 p -119.11 135.53 54.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.862 0.363 . . . . 0.59999999999999998 110.875 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 22.6 p90 -131.82 110.2 10.66 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.349 -0.611 . . . . 0.76000000000000001 109.349 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 29' ' ' ARG . 6.0 mpt_? -103.99 145.59 29.92 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.867 -0.606 . . . . 3.6299999999999999 110.45 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -79.75 118.86 21.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.572 -0.74 . . . . 0.82999999999999996 110.936 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.462 HG21 HD11 ' A' ' 72' ' ' ILE . 6.8 m -93.64 -14.52 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.748 -0.834 . . . . 0.83999999999999997 108.748 177.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' A' ' 33' ' ' ASN . 14.0 t70 -152.9 -158.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.357 -1.292 . . . . 1.74 108.182 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 80.4 m-20 -87.3 -40.22 14.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.988 0.423 . . . . 2.7200000000000002 110.692 -179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -118.12 24.96 10.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.209 -0.45 . . . . 1.8400000000000001 110.789 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -134.04 127.42 32.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.324 -0.398 . . . . 2.25 110.373 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.5 pt -124.01 150.76 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.53000000000000003 110.976 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -125.4 135.64 52.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 1.8200000000000001 110.617 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 27' ' ' THR . 67.6 mt -99.58 100.43 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.879 -0.786 . . . . 0.68999999999999995 108.879 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 -23.5 20.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.638 0.607 . . . . 2.4700000000000002 112.638 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.62 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 6.8 m80 -127.24 134.02 50.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.256 0.551 . . . . 2.1200000000000001 112.174 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.43 85.55 1.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.115 -0.948 . . . . 0.72999999999999998 108.894 178.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -119.87 137.81 12.67 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.529 -0.843 . . . . 0.69999999999999996 112.403 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.695 ' HB ' H142 ' A' ' 103' ' ' ACO . 79.0 t -127.62 97.3 3.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.382 -0.599 . . . . 0.93000000000000005 109.382 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -92.33 142.55 27.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.864 -0.607 . . . . 1.8300000000000001 109.816 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -164.5 132.23 3.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.008 0.432 . . . . 3.1200000000000001 110.298 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -90.25 -11.06 42.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.523 -0.762 . . . . 3.7999999999999998 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -76.53 -59.64 2.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.557 -0.292 . . . . 4.4699999999999998 110.731 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.81 -4.99 0.03 OUTLIER Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.113 -1.042 . . . . 3.8599999999999999 113.615 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 124.26 115.23 2.13 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.621 -0.799 . . . . 3.0499999999999998 111.83 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -110.87 141.57 44.08 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.714 0.292 . . . . 3.4399999999999999 110.476 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.31 41.21 2.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.027 -0.606 . . . . 1.1100000000000001 112.495 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 m -76.92 -26.08 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.892 0.377 . . . . 1.1399999999999999 110.733 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.91 -27.56 71.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.886 -0.673 . . . . 0.58999999999999997 111.984 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -64.79 -37.19 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.941 0.4 . . . . 2.02 110.716 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -74.13 -31.76 62.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 2.5699999999999998 110.684 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' HB3' HG21 ' A' ' 26' ' ' ILE . 84.5 mt -69.13 -50.9 43.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.563 -0.744 . . . . 0.85999999999999999 110.883 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.67 -38.78 92.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 1.29 110.894 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -58.55 -42.56 88.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 1.3899999999999999 110.99 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.83 95.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.56000000000000005 110.755 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.5 t -65.83 -45.56 91.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.53 . . . . 0.44 110.273 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.47 -45.29 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.53000000000000003 110.229 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -60.54 -45.45 93.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.618 -0.719 . . . . 1.76 110.947 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -64.51 -40.67 96.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.96 -0.564 . . . . 1.04 110.331 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.14 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.84999999999999998 110.888 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.9 tpp85 -60.86 -40.06 91.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.901 0.382 . . . . 3.1200000000000001 110.861 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -69.01 -35.05 76.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.443 0.534 . . . . 1.8200000000000001 112.443 -178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -103.44 9.46 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.21 0.448 . . . . 1.3999999999999999 112.21 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 56.92 56.64 5.22 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.198 0.523 . . . . 2.1800000000000002 110.685 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.1 mt -112.53 148.09 35.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.651 -0.704 . . . . 0.78000000000000003 110.631 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HB3' HD11 ' A' ' 93' ' ' LEU . 4.8 mptp? -95.17 137.61 33.99 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.945 -0.761 . . . . 3.0499999999999998 108.945 178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mt -110.91 123.56 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.702 0.63 . . . . 0.85999999999999999 112.702 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 31' ' ' VAL . 2.3 pt -124.45 96.13 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.43 -0.805 . . . . 0.98999999999999999 108.834 177.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.65 117.18 18.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.066 -0.515 . . . . 0.5 111.911 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -85.15 -20.43 30.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.93999999999999995 109.482 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 139.27 33.1 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.41 -0.814 . . . . 1.3100000000000001 109.47 178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 m -61.15 -45.94 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.875 0.695 . . . . 1.1200000000000001 112.875 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.658 ' CD1' H132 ' A' ' 103' ' ' ACO . 76.4 t80 -60.3 -51.77 68.13 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.366 0.506 . . . . 0.94999999999999996 112.366 -178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.81 83.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.296 -0.411 . . . . 0.5 111.135 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -64.44 -35.67 81.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.216 -0.447 . . . . 1.27 110.788 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -59.5 -41.69 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.738 -0.665 . . . . 1.21 111.204 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 31.6 ttm -77.23 -36.83 54.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.435 -0.348 . . . . 1.51 111.102 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 88' ' ' TYR . 84.3 mt -59.71 -40.08 86.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.331 -0.395 . . . . 0.57999999999999996 111.311 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -78.54 -15.94 58.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 1.46 111.98 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -89.37 -50.39 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.865 0.364 . . . . 2.3300000000000001 111.065 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -73.31 120.69 19.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 1.6000000000000001 110.413 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -63.96 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 2.6600000000000001 111.151 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -34.04 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.089 0.471 . . . . 1.46 110.851 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HB3' HD23 ' A' ' 82' ' ' LEU . 9.7 m-30 -77.43 -21.78 52.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.616 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 92' ' ' TYR . 34.3 mt-30 -70.52 -5.83 31.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 2.4199999999999999 111.305 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -73.88 -45.97 47.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.966 -0.561 . . . . 2.4399999999999999 110.45 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.7 m -90.71 -7.19 10.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.093 0.473 . . . . 0.87 110.954 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.469 ' HB3' ' HA ' ' A' ' 89' ' ' GLN . 72.0 t80 -89.07 135.52 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 1.1399999999999999 109.931 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 70' ' ' LYS . 5.8 mp -91.88 -56.81 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.398 -0.365 . . . . 1.4199999999999999 111.529 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.416 ' HA2' ' CE2' ' A' ' 92' ' ' TYR . . . 140.88 108.16 0.72 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.545 -0.836 . . . . 3.6400000000000001 112.248 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.4 mt -113.85 5.44 16.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.003 0.43 . . . . 6.5 110.985 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.56 -79.34 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.412 -0.358 . . . . 5.1500000000000004 110.419 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -146.04 89.23 1.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.017 0.377 . . . . 5.8799999999999999 112.017 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -87.28 -13.9 42.41 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.877 -0.786 . . . . 6.29 108.877 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -164.66 154.86 14.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.994 -1.003 . . . . 10.4 109.398 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -75.31 -61.42 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.799 -0.445 . . . . 10.369999999999999 109.799 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -161.3 -44.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.832 -0.622 . . . . 9.4900000000000002 109.954 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.466 -0.778 . . . . 12.66 109.786 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.695 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 109.994 -0.373 . . . . 6.9500000000000002 109.994 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 m -76.72 88.79 3.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.965 0.412 . . . . 6.4699999999999998 110.18 179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -149.91 162.33 40.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.888 -0.596 . . . . 3.3500000000000001 110.195 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.36 -104.28 0.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.865 -0.42 . . . . 2.4900000000000002 109.865 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 67.95 141.41 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.405 0.621 . . . . 2.9100000000000001 111.845 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.9 mt -78.32 95.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.059 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -88.84 121.89 31.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 2.23 109.453 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -98.18 159.41 14.96 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.381 -0.372 . . . . 2.52 110.622 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.55 150.37 5.64 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.78 -0.724 . . . . 1.04 112.416 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 42.48 43.79 3.26 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.226 1.011 . . . . 3.1899999999999999 113.259 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 61.6 m-20 58.4 41.07 23.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.071 0.462 . . . . 1.3799999999999999 110.815 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -150.99 138.67 19.71 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.111 -0.495 . . . . 0.93999999999999995 111.33 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -106.82 111.96 24.71 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.482 -0.933 . . . . 0.68999999999999995 108.482 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -124.93 138.41 54.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.468 0.651 . . . . 1.1599999999999999 111.366 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mt -107.33 121.72 60.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 115.418 -0.81 . . . . 0.92000000000000004 109.7 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.79 175.39 37.56 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.843 -0.617 . . . . 1.52 111.825 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -83.19 -28.52 29.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.1 0.476 . . . . 2.6200000000000001 110.934 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' HD22 ' A' ' 21' ' ' ASN . 21.2 t70 -143.34 158.39 43.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.036 -0.529 . . . . 1.6000000000000001 109.858 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -61.35 -32.88 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.747 -0.206 . . . . 2.7200000000000002 111.337 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -91.82 10.42 28.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.207 0.527 . . . . 2.9199999999999999 110.489 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.448 HD22 ' HB3' ' A' ' 18' ' ' ASP . 45.0 m-80 -136.45 36.68 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.864 -0.607 . . . . 2.4500000000000002 109.613 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.74 128.17 34.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.765 -0.652 . . . . 1.1899999999999999 110.667 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.8 mt -85.56 -22.67 27.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.246 0.546 . . . . 1.3899999999999999 109.801 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.72 136.09 11.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.598 -0.728 . . . . 0.77000000000000002 110.528 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.85 139.68 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.352 0.596 . . . . 1.3300000000000001 111.743 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 tt -125.48 131.07 72.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.92 -0.77 . . . . 0.40999999999999998 108.92 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.7 p -110.12 133.96 52.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.168 0.509 . . . . 0.59999999999999998 111.553 -178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 24.2 p90 -138.98 126.58 21.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.573 -0.74 . . . . 0.76000000000000001 109.478 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.7 mtm105 -114.0 143.87 44.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.012 0.434 . . . . 3.6299999999999999 111.868 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -85.19 94.33 8.87 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.243 -1.021 . . . . 0.82999999999999996 108.243 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.9 m -86.2 -20.36 7.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 0.83999999999999997 112.357 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -149.57 33.03 0.7 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.761 0.315 . . . . 1.74 110.851 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 67.35 -72.65 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.68 -0.691 . . . . 2.7200000000000002 111.444 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.65 23.15 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 1.8400000000000001 110.783 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.81 115.38 8.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.889 -0.596 . . . . 2.25 109.602 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.6 pt -106.92 122.48 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.171 0.51 . . . . 0.53000000000000003 110.909 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.59 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 34.1 t30 -100.32 117.32 34.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.348 -0.842 . . . . 1.8200000000000001 110.367 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 88.8 mt -86.03 117.17 30.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.839 -0.619 . . . . 0.68999999999999995 109.642 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -76.04 -60.49 2.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 2.4700000000000002 111.271 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -145.15 165.76 27.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 2.1200000000000001 111.955 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -137.51 88.83 2.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.162 -0.926 . . . . 0.72999999999999998 109.032 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.57 102.63 2.86 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.683 -0.77 . . . . 0.69999999999999996 112.186 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.501 HG21 ' HA2' ' A' ' 53' ' ' GLY . 42.4 t -122.25 131.73 72.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 110.313 -0.254 . . . . 0.93000000000000005 110.313 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.1 t -74.92 126.54 31.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.424 0.631 . . . . 1.8300000000000001 109.961 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -159.74 109.91 1.89 Allowed 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.955 -1.021 . . . . 3.1200000000000001 109.844 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -109.22 4.78 23.19 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.818 -0.628 . . . . 3.7999999999999998 110.545 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.3 mt -110.08 -34.67 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.078 -0.51 . . . . 4.4699999999999998 110.936 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.65 57.19 1.36 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.785 -0.721 . . . . 3.8599999999999999 111.73 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.47 24.1 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.371 -0.918 . . . . 3.0499999999999998 113.131 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.27 115.73 12.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.065 0.433 . . . . 3.4399999999999999 109.998 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.43 -13.49 62.93 Favored Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.741 -0.663 . . . . 1.1100000000000001 112.7 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.5 t -53.78 -43.58 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 122.472 0.309 . . . . 1.1399999999999999 111.136 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 43' ' ' VAL . . . -65.3 -41.63 96.57 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.826 -0.702 . . . . 0.58999999999999997 112.421 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -68.55 -38.66 80.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.345 0.593 . . . . 2.02 109.916 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -59.04 -44.0 91.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.109 -0.95 . . . . 2.5699999999999998 111.244 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 60' ' ' VAL . 80.1 mt -61.62 -47.9 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.85999999999999999 110.878 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.06 -38.38 90.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 1.29 110.703 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -44.92 86.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.772 -0.649 . . . . 1.3899999999999999 110.515 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.84 78.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.56000000000000005 111.076 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 56' ' ' LEU . 50.2 t -69.25 -50.86 48.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.141 -0.481 . . . . 0.44 110.314 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 88' ' ' TYR . 94.1 t -57.76 -42.15 81.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.991 -0.549 . . . . 0.53000000000000003 111.002 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 5.3 mt-10 -57.67 -55.42 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.76 110.876 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.97 -35.47 80.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 1.04 110.433 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -61.11 -52.08 66.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 0.84999999999999998 110.734 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -61.67 -32.01 72.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.351 -0.386 . . . . 3.1200000000000001 111.083 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 54.7 mt-10 -68.5 -27.43 66.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 1.8200000000000001 111.292 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -111.37 11.97 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.164 -0.471 . . . . 1.3999999999999999 111.662 -178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 57.82 31.64 20.79 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.676 0.75 . . . . 2.1800000000000002 110.754 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 64' ' ' ALA . 39.0 mt -81.57 128.6 34.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.918 -0.583 . . . . 0.78000000000000003 110.367 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.747 ' HB3' HD22 ' A' ' 93' ' ' LEU . 28.3 mtmt -82.86 139.78 33.27 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.57 -0.9 . . . . 3.0499999999999998 108.57 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.9 mt -108.64 127.66 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 N-CA-C 112.958 0.725 . . . . 0.85999999999999999 112.958 -177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.59 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -130.68 105.1 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.718 -1.128 . . . . 0.98999999999999999 108.881 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.72 135.04 37.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.909 0.385 . . . . 0.5 111.559 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.8 m -87.7 -22.77 24.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.982 -0.554 . . . . 0.93999999999999995 109.833 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.94 132.94 36.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.3100000000000001 110.672 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -43.2 94.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.106 -0.497 . . . . 1.1200000000000001 111.332 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -62.18 -53.8 50.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 0.94999999999999996 111.098 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.95 93.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.5 111.106 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -62.25 -39.93 94.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.528 . . . . 1.27 110.411 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 80.8 t60 -65.15 -38.22 89.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.821 -0.627 . . . . 1.21 110.719 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 78.8 mmm -64.5 -38.74 92.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.231 0.538 . . . . 1.51 110.086 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.1 mt -68.91 -37.0 78.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.352 -0.84 . . . . 0.57999999999999996 111.402 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 10.1 pt-20 -78.55 -17.45 56.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.802 0.334 . . . . 1.46 110.765 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -79.99 -55.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 2.3300000000000001 110.775 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' ' 85' ' ' GLU . 1.2 tp10 -75.64 130.15 38.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.352 -0.385 . . . . 1.6000000000000001 111.021 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.5 -41.48 96.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.991 -0.55 . . . . 2.6600000000000001 110.717 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.53 -30.02 71.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 1.46 110.905 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.405 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.5 m-30 -77.17 -34.91 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.237 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -64.64 -16.28 62.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.124 -0.489 . . . . 2.4199999999999999 111.677 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.24 -47.99 74.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.859 0.361 . . . . 2.4399999999999999 110.234 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.77 -25.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.154 -0.475 . . . . 0.87 111.315 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -77.27 118.08 19.41 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.798 -0.445 . . . . 1.1399999999999999 109.798 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.773 ' H ' HD23 ' A' ' 93' ' ' LEU . 2.5 pt? -107.97 -34.59 6.86 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.094 -0.503 . . . . 1.4199999999999999 110.551 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.56 -106.18 1.95 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.702 -0.761 . . . . 3.6400000000000001 111.74 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 mp -118.44 138.4 52.49 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.9 -0.407 . . . . 6.5 109.9 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -86.96 -16.21 36.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.275 0.56 . . . . 5.1500000000000004 110.077 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -155.56 146.65 22.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.552 -0.749 . . . . 5.8799999999999999 109.831 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -60.91 120.91 11.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.036 -0.357 . . . . 6.29 110.036 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -127.44 127.63 44.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.26 -0.427 . . . . 10.4 110.515 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -71.93 135.96 46.69 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.138 -0.483 . . . . 10.369999999999999 110.359 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -65.03 158.98 24.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 9.4900000000000002 110.911 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.649 -0.691 . . . . 12.66 110.386 -179.782 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.543 HH33 ' O5P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.038 -0.356 . . . . 6.9500000000000002 110.038 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 p -152.11 -68.98 0.16 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.264 -0.425 . . . . 6.4699999999999998 110.047 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -157.25 148.33 21.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.523 -0.762 . . . . 3.3500000000000001 109.166 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 mp -92.36 56.88 2.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.335 0.588 . . . . 2.4900000000000002 110.893 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 15' ' ' ILE . 6.1 mm-40 -87.69 141.52 28.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.41 -0.814 . . . . 2.9100000000000001 109.887 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' A' ' 55' ' ' LYS . 45.7 mt -73.92 95.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.995 0.426 . . . . 1.0 111.119 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -82.58 124.07 29.81 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.397 -0.594 . . . . 2.23 109.397 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -101.66 128.42 47.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.203 0.525 . . . . 2.52 110.647 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.94 -159.83 11.18 Favored Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.206 -0.906 . . . . 1.04 111.278 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.28 92.64 0.02 OUTLIER 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.773 0.429 . . . . 3.1899999999999999 111.318 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 52.29 46.55 26.45 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.747 -0.66 . . . . 1.3799999999999999 110.964 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -165.29 158.19 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.93999999999999995 111.343 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -123.57 134.17 53.86 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.576 -0.898 . . . . 0.68999999999999995 108.576 178.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -144.11 146.47 32.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.049 0.452 . . . . 1.1599999999999999 111.295 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.632 HG13 HD21 ' A' ' 56' ' ' LEU . 86.4 mt -130.57 125.99 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.79 -0.641 . . . . 0.92000000000000004 109.597 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.43 -173.42 46.23 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.421 -0.895 . . . . 1.52 112.283 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -77.57 -34.69 53.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.343 0.592 . . . . 2.6200000000000001 110.592 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -148.11 168.95 21.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.293 -0.867 . . . . 1.6000000000000001 109.283 -178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.8 -40.28 79.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.997 0.427 . . . . 2.7200000000000002 110.091 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -85.77 -24.27 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.511 . . . . 2.9199999999999999 110.07 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -95.73 40.31 1.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.75 -0.659 . . . . 2.4500000000000002 109.886 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 124.42 27.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.747 -0.66 . . . . 1.1899999999999999 110.388 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -79.27 -24.13 43.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.626 0.727 . . . . 1.3899999999999999 109.451 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -159.18 133.71 7.89 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.726 -1.125 . . . . 0.77000000000000002 109.376 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -145.21 132.89 20.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.957 0.408 . . . . 1.3300000000000001 111.229 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.9 tt -126.58 127.45 70.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.793 -0.639 . . . . 0.40999999999999998 109.533 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 p -115.58 148.07 40.01 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.602 -0.272 . . . . 0.59999999999999998 111.213 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 37.3 p90 -142.84 161.6 37.68 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.602 -0.518 . . . . 0.76000000000000001 109.602 178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.89 157.04 43.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.718 0.294 . . . . 3.6299999999999999 110.316 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -88.44 120.37 29.75 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.52 -0.548 . . . . 0.82999999999999996 109.52 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.4 m -90.23 -37.99 10.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.525 -0.307 . . . . 0.83999999999999997 111.647 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -132.0 -81.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.926 -0.31 . . . . 1.74 111.483 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -125.21 -78.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.013 0.375 . . . . 2.7200000000000002 112.013 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 89.8 m-20 -105.85 3.15 28.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.03 0.443 . . . . 1.8400000000000001 110.787 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -86.39 118.45 25.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.907 -0.588 . . . . 2.25 110.666 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -108.03 123.11 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.113 -0.494 . . . . 0.53000000000000003 110.503 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.559 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.7 t30 -98.05 127.45 44.0 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.84 -0.618 . . . . 1.8200000000000001 112.016 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.76 106.26 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 107.796 -1.187 . . . . 0.68999999999999995 107.796 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 0.3 OUTLIER -104.64 -34.54 8.13 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.632 0.604 . . . . 2.4700000000000002 112.632 -177.608 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -115.11 135.25 54.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.381 0.61 . . . . 2.1200000000000001 111.939 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -150.34 111.06 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.126 -0.943 . . . . 0.72999999999999998 109.208 178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.05 127.3 6.92 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.67 -0.776 . . . . 0.69999999999999996 112.22 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.553 ' HB ' H142 ' A' ' 103' ' ' ACO . 45.7 t -135.87 134.6 51.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 110.012 -0.366 . . . . 0.93000000000000005 110.012 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 m -76.44 103.39 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.252 0.548 . . . . 1.8300000000000001 109.781 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.49 -28.69 33.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.716 -0.675 . . . . 3.1200000000000001 111.374 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -42.76 59.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.126 0.489 . . . . 3.7999999999999998 110.024 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.64 -38.95 90.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.628 -0.714 . . . . 4.4699999999999998 110.257 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.96 46.75 0.81 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.563 -0.827 . . . . 3.8599999999999999 112.607 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.8 47.37 3.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.055 -0.593 . . . . 3.0499999999999998 112.093 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -79.4 134.47 36.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.873 0.368 . . . . 3.4399999999999999 110.061 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.13 -30.67 5.04 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.921 -0.581 . . . . 1.1100000000000001 112.034 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 t -62.26 -50.75 78.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.804 0.335 . . . . 1.1399999999999999 110.603 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.61 -33.52 86.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.906 -0.664 . . . . 0.58999999999999997 112.191 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -70.67 -40.57 72.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 2.02 110.124 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG2' HD11 ' A' ' 6' ' ' ILE . 25.7 ttpt -67.18 -34.94 78.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 2.5699999999999998 109.788 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.632 HD21 HG13 ' A' ' 15' ' ' ILE . 28.6 mt -64.82 -47.86 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 0.85999999999999999 109.828 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.4 tp -64.21 -34.04 77.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 1.29 110.008 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -60.16 -42.74 95.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.837 -0.62 . . . . 1.3899999999999999 109.849 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.02 -39.5 92.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.56000000000000005 110.101 178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.51 -48.05 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.94 -0.573 . . . . 0.44 109.782 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.7 t -63.39 -41.22 91.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 115.852 -0.613 . . . . 0.53000000000000003 110.612 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 1.9 tp10 -62.97 -51.66 66.01 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.049 -0.523 . . . . 1.76 110.167 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -64.39 -30.33 71.37 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.836 -0.62 . . . . 1.04 111.179 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.78 81.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.84999999999999998 110.286 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.51 -34.44 77.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 3.1200000000000001 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 51.5 mt-10 -66.79 -30.64 70.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 1.8200000000000001 111.796 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -110.85 8.27 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.079 0.399 . . . . 1.3999999999999999 112.079 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.9 t30 57.32 39.16 28.63 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.659 0.742 . . . . 2.1800000000000002 110.359 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 34' ' ' ASN . 77.4 mt -86.76 152.89 22.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.476 -0.783 . . . . 0.78000000000000003 110.877 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 10.6 mptt -108.69 121.95 46.11 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.854 -0.795 . . . . 3.0499999999999998 108.854 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.3 mt -87.33 127.2 40.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.352 0.596 . . . . 0.85999999999999999 112.055 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.559 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.6 pt -133.29 91.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.961 -1.018 . . . . 0.98999999999999999 108.707 178.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.25 122.77 32.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.574 0.583 . . . . 0.5 112.574 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 m -92.04 -23.68 19.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.93999999999999995 108.818 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.46 ' SG ' HH31 ' A' ' 103' ' ' ACO . 7.1 t -63.87 124.98 22.92 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.265 -0.88 . . . . 1.3100000000000001 109.194 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.38 -44.53 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.376 0.51 . . . . 1.1200000000000001 112.376 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.84 -51.52 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.94999999999999996 111.146 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.2 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.5 110.939 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -62.36 -46.27 89.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.471 . . . . 1.27 110.414 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -56.27 -42.88 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 1.21 111.591 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.8 ttp -74.72 -37.85 62.45 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.736 -0.386 . . . . 1.51 111.239 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -41.08 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.419 -0.355 . . . . 0.57999999999999996 111.199 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -76.74 -26.93 55.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.726 -0.472 . . . . 1.46 109.726 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -70.03 -45.86 66.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 2.3300000000000001 110.106 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.03 98.42 11.26 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.632 -0.713 . . . . 1.6000000000000001 110.237 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -58.45 -28.27 65.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.143 0.497 . . . . 2.6600000000000001 110.664 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -27.3 68.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.598 -0.728 . . . . 1.46 111.958 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -92.04 -2.73 56.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.68 0.276 . . . . 1.0 111.435 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -80.22 7.05 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.234 0.457 . . . . 2.4199999999999999 112.234 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -80.62 -25.12 38.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.203 -0.666 . . . . 2.4399999999999999 109.203 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.8 m -119.35 -22.23 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.631 -0.713 . . . . 0.87 110.079 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -89.16 131.27 35.37 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.002 -0.74 . . . . 1.1399999999999999 109.002 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt -75.75 57.05 0.98 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.931 0.345 . . . . 1.4199999999999999 111.931 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.83 -28.61 28.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.927 -0.654 . . . . 3.6400000000000001 111.646 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -82.96 79.39 9.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.085 0.469 . . . . 6.5 110.249 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.21 -59.52 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.195 -0.457 . . . . 5.1500000000000004 111.339 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -171.38 -35.22 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.543 0.571 . . . . 5.8799999999999999 112.543 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 8.3 p-80 -90.79 -40.95 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.472 -0.491 . . . . 6.29 111.839 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.9 m80 59.3 179.12 0.08 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.158 0.429 . . . . 10.4 112.158 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.43 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 5.0 t60 53.44 -94.47 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.623 -0.717 . . . . 10.369999999999999 112.106 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.43 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 22.4 t-80 -147.62 -47.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.199 -0.297 . . . . 9.4900000000000002 110.199 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.332 -0.842 . . . . 12.66 110.243 179.704 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.586 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.505 0.193 . . . . 6.9500000000000002 110.83 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m -83.1 77.97 9.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.013 0.435 . . . . 6.4699999999999998 110.183 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -124.57 178.88 5.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.913 -0.585 . . . . 3.3500000000000001 109.794 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp 60.25 36.61 20.78 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.367 0.603 . . . . 2.4900000000000002 110.358 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -90.07 163.92 14.69 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.314 -0.857 . . . . 2.9100000000000001 109.945 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -68.42 102.19 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -86.42 132.45 33.94 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.512 -0.551 . . . . 2.23 109.512 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -87.43 137.02 32.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.095 0.474 . . . . 2.52 110.745 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.38 -167.21 12.17 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 111.205 -0.758 . . . . 1.04 111.205 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.56 97.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.832 0.316 . . . . 3.1899999999999999 111.154 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.49 36.11 27.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.663 -0.698 . . . . 1.3799999999999999 110.905 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 51.1 pttt -163.1 173.0 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.117 0.484 . . . . 0.93999999999999995 111.753 -178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -128.92 138.41 51.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.403 -0.962 . . . . 0.68999999999999995 108.403 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -152.23 154.97 36.84 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.664 -0.415 . . . . 1.1599999999999999 111.442 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.6 mt -127.15 136.64 60.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 0.92000000000000004 109.386 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.58 169.2 12.56 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.033 -0.603 . . . . 1.52 111.619 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.06 -59.81 4.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.771 0.32 . . . . 2.6200000000000001 110.983 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -127.59 162.78 25.67 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.364 -0.606 . . . . 1.6000000000000001 109.364 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -60.8 -39.85 90.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.554 0.216 . . . . 2.7200000000000002 111.442 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.01 -32.03 73.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.117 0.484 . . . . 2.9199999999999999 111.168 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -111.34 27.26 9.84 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.982 -0.554 . . . . 2.4500000000000002 110.64 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.03 129.85 41.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.965 -0.561 . . . . 1.1899999999999999 110.85 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.41 -42.07 98.15 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.433 -0.58 . . . . 1.3899999999999999 109.433 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -159.01 145.71 17.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.516 -0.766 . . . . 0.77000000000000002 110.666 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -146.17 146.21 30.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.015 0.436 . . . . 1.3300000000000001 110.473 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 16.7 tt -133.63 133.18 57.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.40999999999999998 109.386 179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.6 p -111.19 140.88 45.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.646 0.26 . . . . 0.59999999999999998 111.253 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.2 p90 -136.41 150.56 48.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.468 -0.333 . . . . 0.76000000000000001 110.437 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -142.12 160.95 39.21 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.261 -0.427 . . . . 3.6299999999999999 110.488 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -91.26 109.37 20.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.261 -0.427 . . . . 0.82999999999999996 109.873 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 35' ' ' GLU . 6.6 m -76.67 -25.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.033 0.444 . . . . 0.83999999999999997 110.459 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -141.32 -79.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.928 -0.578 . . . . 1.74 110.078 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -158.93 -56.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 2.7200000000000002 110.484 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -99.73 19.04 16.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.267 0.556 . . . . 1.8400000000000001 109.923 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' CG2' ' A' ' 31' ' ' VAL . 1.7 mt-10 -131.98 126.41 33.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.887 -0.597 . . . . 2.25 110.409 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 pt -120.22 133.53 66.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.948 0.404 . . . . 0.53000000000000003 110.464 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 28' ' ' TYR . 1.6 p-10 -108.09 144.13 35.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.979 -0.555 . . . . 1.8200000000000001 110.957 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -91.44 101.21 12.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.912 -0.773 . . . . 0.68999999999999995 108.912 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -55.48 -63.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 2.4700000000000002 111.462 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -145.06 164.18 31.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.076 0.465 . . . . 2.1200000000000001 111.156 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -142.33 117.99 10.41 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.532 -0.758 . . . . 0.72999999999999998 109.287 179.289 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.47 135.33 8.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.527 -0.844 . . . . 0.69999999999999996 112.503 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.754 ' HB ' H142 ' A' ' 103' ' ' ACO . 38.4 t -132.66 142.85 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.93000000000000005 109.443 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.1 m -83.48 131.02 35.04 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.068 -0.345 . . . . 1.8300000000000001 110.068 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.3 -12.59 59.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.339 -0.391 . . . . 3.1200000000000001 110.922 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -77.25 62.79 2.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.056 -0.52 . . . . 3.7999999999999998 111.405 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 mp 55.24 42.14 30.72 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.905 -0.589 . . . . 4.4699999999999998 111.79 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.38 26.04 3.75 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.615 -0.803 . . . . 3.8599999999999999 112.177 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -128.42 11.39 6.41 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.582 -0.818 . . . . 3.0499999999999998 112.726 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.2 83.84 2.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 3.4399999999999999 110.805 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' HA2' ' HE3' ' A' ' 54' ' ' LYS . . . 77.93 -7.57 42.22 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.962 -0.563 . . . . 1.1100000000000001 113.531 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 t -61.15 -52.24 63.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.931 0.396 . . . . 1.1399999999999999 111.042 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.11 -29.61 74.94 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.871 -0.68 . . . . 0.58999999999999997 112.459 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 21.4 mtmt -73.54 -29.79 62.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.7 0.286 . . . . 2.02 110.52 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -67.71 -37.1 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 2.5699999999999998 109.814 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.91 -48.46 76.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.597 -0.728 . . . . 0.85999999999999999 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.02 -35.87 76.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.649 -0.705 . . . . 1.29 110.808 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.15 -47.31 85.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.912 -0.585 . . . . 1.3899999999999999 110.477 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.66 -39.7 94.14 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.96 -0.564 . . . . 0.56000000000000005 111.271 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.08 -52.09 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.935 -0.575 . . . . 0.44 110.561 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.46 HG21 ' CD1' ' A' ' 88' ' ' TYR . 71.7 t -62.92 -38.09 81.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.53000000000000003 110.713 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 16.3 mt-10 -59.14 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.445 -0.343 . . . . 1.76 110.368 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.563 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 3.7 t60 -63.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.05 0.452 . . . . 1.04 110.256 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.62 -29.3 67.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.786 -0.643 . . . . 0.84999999999999998 110.122 178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -75.51 -35.33 60.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 3.1200000000000001 109.915 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.563 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 45.0 mt-10 -72.41 -48.68 39.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.344 -0.844 . . . . 1.8200000000000001 111.609 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.423 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 11.0 m120 -92.33 -1.38 57.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.148 0.425 . . . . 1.3999999999999999 112.148 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 60.98 38.01 17.73 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.953 0.406 . . . . 2.1800000000000002 111.074 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 18.8 mt -82.6 161.27 22.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.887 -0.597 . . . . 0.78000000000000003 111.887 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -96.92 139.33 33.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.442 -0.799 . . . . 3.0499999999999998 108.85 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 35.9 mm -106.25 122.22 59.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.098 0.475 . . . . 0.85999999999999999 111.589 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER -132.99 137.14 54.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.542 -0.91 . . . . 0.98999999999999999 108.542 177.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.11 132.07 55.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.507 0.558 . . . . 0.5 112.507 -178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -102.08 -0.11 34.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.592 -0.731 . . . . 0.93999999999999995 109.339 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 7.5 t -111.03 137.2 48.95 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.284 -0.871 . . . . 1.3100000000000001 110.301 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.1 m -59.38 -44.71 92.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 1.1200000000000001 112.227 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.485 ' CE1' H143 ' A' ' 103' ' ' ACO . 87.3 t80 -60.64 -53.87 52.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 0.94999999999999996 111.363 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB2' ' OG1' ' A' ' 41' ' ' THR . . . -58.57 -41.09 84.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.5 111.057 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 tttm -60.45 -46.45 90.0 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.094 -0.336 . . . . 1.27 110.094 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.65 -41.68 91.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.988 0.423 . . . . 1.21 110.475 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 88.1 mmm -65.57 -43.78 88.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.967 -0.561 . . . . 1.51 111.004 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 92' ' ' TYR . 49.3 mt -68.5 -31.84 71.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.57999999999999996 110.932 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 92.9 mt-10 -77.58 -25.58 50.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 1.46 109.816 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 22.5 tttm -75.58 -52.72 9.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 2.3300000000000001 110.696 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.53 108.33 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.222 -0.445 . . . . 1.6000000000000001 110.649 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -62.86 -26.82 68.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.956 -0.565 . . . . 2.6600000000000001 111.042 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -38.4 86.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.049 0.452 . . . . 1.46 110.421 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.46 ' CD1' HG21 ' A' ' 61' ' ' VAL . 13.9 m-30 -80.55 -29.14 37.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.444 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.423 HE21 ' HB2' ' A' ' 89' ' ' GLN . 3.3 tt0 -68.41 -9.54 49.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.371 -0.831 . . . . 2.4199999999999999 111.4 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.54 -40.15 88.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.291 0.567 . . . . 2.4399999999999999 109.685 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m -103.87 -18.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.793 -0.64 . . . . 0.87 110.911 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.505 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 3.1 t80 -86.13 133.0 33.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 1.1399999999999999 109.998 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.82 79.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.116 -0.493 . . . . 1.4199999999999999 110.743 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -87.17 3.95 86.5 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.761 -0.654 . . . . 3.6400000000000001 112.942 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.431 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.4 pt? -68.99 -22.92 64.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.17 0.51 . . . . 6.5 110.126 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -101.23 101.93 12.71 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.809 -0.632 . . . . 5.1500000000000004 109.998 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -154.14 36.75 0.43 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.465 -0.789 . . . . 5.8799999999999999 109.619 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -65.94 130.57 43.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.641 -0.709 . . . . 6.29 110.862 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.9 t60 58.43 56.32 4.44 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.939 0.775 . . . . 10.4 110.777 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -90.4 96.78 10.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.543 -0.753 . . . . 10.369999999999999 109.865 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -139.26 113.34 8.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.343 -0.389 . . . . 9.4900000000000002 110.489 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.244 0.815 0 CA-C-O 118.703 -0.665 . . . . 12.66 109.725 179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.754 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 121.108 0.48 . . . . 6.9500000000000002 110.601 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.09 -77.48 0.48 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.01 -0.541 . . . . 6.4699999999999998 110.378 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.414 ' OD1' ' HG2' ' A' ' 5' ' ' GLU . 28.6 t-20 -154.96 158.84 39.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.884 -0.598 . . . . 3.3500000000000001 109.689 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.4 mt -80.61 56.27 2.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.113 0.482 . . . . 2.4900000000000002 110.353 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG2' ' OD1' ' A' ' 3' ' ' ASN . 10.6 mm-40 -91.88 138.4 31.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.868 -0.605 . . . . 2.9100000000000001 111.409 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -82.78 86.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 1.0 109.764 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 7' ' ' LYS . 7.1 mmmm -71.94 130.27 40.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.709 -0.678 . . . . 2.23 110.254 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -106.73 128.28 54.08 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.297 0.57 . . . . 2.52 110.502 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.83 -151.18 8.75 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.449 -0.796 . . . . 1.04 111.631 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.7 87.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.585 0.354 . . . . 3.1899999999999999 110.641 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.417 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.4 m-80 51.2 44.0 28.95 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.681 -0.691 . . . . 1.3799999999999999 110.532 -179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -153.82 158.69 41.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.655 -0.702 . . . . 0.93999999999999995 111.054 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.57 133.23 53.35 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.391 -0.966 . . . . 0.68999999999999995 108.391 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 14.7 p90 -147.58 148.43 31.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.323 0.582 . . . . 1.1599999999999999 111.556 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -126.28 121.3 58.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.442 -0.799 . . . . 0.92000000000000004 109.169 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.93 175.37 45.05 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.288 -0.958 . . . . 1.52 112.301 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.81 -42.73 69.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.421 0.629 . . . . 2.6200000000000001 110.634 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 21' ' ' ASN . 24.0 t70 -136.93 165.52 25.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.116 -0.947 . . . . 1.6000000000000001 109.595 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -55.31 -41.77 72.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.947 0.404 . . . . 2.7200000000000002 110.999 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -82.14 -19.11 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.422 0.629 . . . . 2.9199999999999999 110.14 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' HB2' ' H ' ' A' ' 18' ' ' ASP . 6.1 m-20 -100.23 41.29 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.577 -0.738 . . . . 2.4500000000000002 110.118 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.12 110.82 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.924 -0.58 . . . . 1.1899999999999999 110.757 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.5 mt -72.69 -26.47 61.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.11 -0.495 . . . . 1.3899999999999999 110.175 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' A' ' 43' ' ' VAL . . . -148.96 130.74 15.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.699 -0.682 . . . . 0.77000000000000002 109.773 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -145.73 142.91 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.005 0.431 . . . . 1.3300000000000001 111.207 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 tt -139.87 135.93 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.665 -0.698 . . . . 0.40999999999999998 109.122 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 145.13 48.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.83 0.348 . . . . 0.59999999999999998 111.656 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -140.49 161.79 36.9 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.813 -0.631 . . . . 0.76000000000000001 109.344 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -151.93 152.69 32.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.669 0.271 . . . . 3.6299999999999999 110.393 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -87.42 113.48 23.16 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.407 -0.59 . . . . 0.82999999999999996 109.407 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.21 -27.01 11.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.83999999999999997 111.969 -178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -142.79 -76.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.572 -0.451 . . . . 1.74 111.589 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -134.38 -60.19 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.571 0.582 . . . . 2.7200000000000002 112.571 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -117.81 -2.18 11.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 1.8400000000000001 111.401 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -86.84 114.82 23.82 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.28 -0.418 . . . . 2.25 111.4 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 pt -103.2 120.4 53.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.87 -0.605 . . . . 0.53000000000000003 109.861 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.2 t30 -103.67 120.02 40.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.016 -0.538 . . . . 1.8200000000000001 111.729 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.1 mt -82.11 114.04 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.647 -0.871 . . . . 0.68999999999999995 108.647 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 75' ' ' CYS . 30.1 t70 -100.58 -54.18 2.9 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.264 0.838 . . . . 2.4700000000000002 113.264 -177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -111.79 141.37 45.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.507 0.67 . . . . 2.1200000000000001 112.06 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.61 143.09 31.33 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.983 -1.008 . . . . 0.72999999999999998 108.503 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -162.89 114.07 0.59 Allowed Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 119.338 -1.41 . . . . 0.69999999999999996 113.822 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' H ' ' C9P' ' A' ' 103' ' ' ACO . 8.5 t -123.37 144.61 32.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.29 -1.004 . . . . 0.93000000000000005 108.29 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -71.83 114.77 10.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.329 0.585 . . . . 1.8300000000000001 110.893 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -81.16 -14.71 57.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.573 -0.74 . . . . 3.1200000000000001 109.768 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -78.51 -25.37 45.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.713 0.768 . . . . 3.7999999999999998 108.939 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 tt -88.83 -35.82 16.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.963 -1.017 . . . . 4.4699999999999998 109.314 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.15 48.68 2.38 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.664 -0.698 . . . . 3.8599999999999999 111.704 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.32 71.22 2.29 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.993 -0.622 . . . . 3.0499999999999998 112.043 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -81.16 -58.85 2.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.797 0.332 . . . . 3.4399999999999999 110.159 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -77.55 -31.23 51.23 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.971 -0.633 . . . . 1.1100000000000001 111.862 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.0 t -57.83 -44.82 87.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 1.1399999999999999 110.809 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.3 -33.32 86.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.93 -0.652 . . . . 0.58999999999999997 112.153 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -74.05 -35.28 64.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.685 0.278 . . . . 2.02 110.418 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -58.71 -50.27 74.53 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.192 -0.458 . . . . 2.5699999999999998 111.688 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -66.05 -43.92 86.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.143 -0.223 . . . . 0.85999999999999999 111.577 -179.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.95 -40.07 95.59 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.103 0.478 . . . . 1.29 110.196 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.536 ' HG2' ' OE2' ' A' ' 62' ' ' GLU . 26.9 ttpp -58.61 -41.55 86.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.678 -0.692 . . . . 1.3899999999999999 110.401 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.98 77.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.845 -0.616 . . . . 0.56000000000000005 110.942 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -67.77 -43.31 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.579 -0.526 . . . . 0.44 109.579 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' HA ' HD11 ' A' ' 71' ' ' ILE . 85.5 t -64.24 -42.46 95.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.514 -0.766 . . . . 0.53000000000000003 110.554 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.536 ' OE2' ' HG2' ' A' ' 58' ' ' LYS . 52.1 mt-10 -64.98 -47.01 79.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.564 -0.744 . . . . 1.76 111.266 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -66.13 -31.67 72.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.155 -0.475 . . . . 1.04 110.447 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HA ' HD12 ' A' ' 69' ' ' LEU . . . -60.83 -46.85 88.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.142 -0.481 . . . . 0.84999999999999998 110.442 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -63.1 -33.85 76.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.434 -0.348 . . . . 3.1200000000000001 110.772 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.74 -38.94 83.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 1.8200000000000001 111.378 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.55 12.33 27.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.104 0.409 . . . . 1.3999999999999999 112.104 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 t30 56.81 38.18 29.29 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.501 0.667 . . . . 2.1800000000000002 110.693 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 64' ' ' ALA . 52.6 mt -81.72 161.65 23.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.568 -0.742 . . . . 0.78000000000000003 111.03 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.1 mptt -110.08 130.21 55.57 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.589 -0.893 . . . . 3.0499999999999998 108.589 178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 61' ' ' VAL . 54.8 mt -100.71 127.46 53.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.732 0.777 . . . . 0.85999999999999999 112.622 -177.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.0 OUTLIER -135.18 158.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 114.395 -1.275 . . . . 0.98999999999999999 107.628 177.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.77 136.29 20.42 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.961 -0.696 . . . . 0.5 112.478 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 p -98.32 -22.14 16.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.749 -0.834 . . . . 0.93999999999999995 108.749 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.61 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 7.5 t -71.4 130.6 41.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.964 -1.016 . . . . 1.3100000000000001 110.029 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.73 -46.12 91.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.447 -0.342 . . . . 1.1200000000000001 111.386 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.594 ' CZ ' H143 ' A' ' 103' ' ' ACO . 87.4 t80 -63.57 -49.77 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.94999999999999996 110.872 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.02 -45.88 93.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.089 -0.505 . . . . 0.5 111.009 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -64.37 -41.26 96.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 1.27 110.269 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -58.66 -40.54 83.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.409 -0.36 . . . . 1.21 110.504 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 69.9 mtp -64.48 -41.41 96.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.321 -0.4 . . . . 1.51 110.198 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.4 -38.2 74.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.57999999999999996 110.77 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.33 -39.62 81.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.231 -0.44 . . . . 1.46 110.997 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -72.69 -36.02 67.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 2.3300000000000001 110.684 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.01 84.65 6.19 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.322 -0.622 . . . . 1.6000000000000001 109.322 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -58.84 -25.07 62.91 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.171 -0.468 . . . . 2.6600000000000001 111.526 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -9.94 59.08 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.034 -0.53 . . . . 1.46 111.163 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -96.17 -2.72 45.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.089 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' OE1' ' HA3' ' A' ' 94' ' ' GLY . 11.0 mt-30 -75.9 6.37 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.05 0.452 . . . . 2.4199999999999999 110.975 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -26.53 58.06 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.344 -0.613 . . . . 2.4399999999999999 109.344 178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -123.87 -22.59 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.651 -0.704 . . . . 0.87 110.691 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -86.45 132.52 33.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 1.1399999999999999 110.256 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.8 mt -79.59 73.83 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.928 -0.578 . . . . 1.4199999999999999 111.383 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.411 ' HA3' ' OE1' ' A' ' 89' ' ' GLN . . . -109.7 -15.46 12.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 3.6400000000000001 111.434 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.61 76.47 2.0 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.482 -0.562 . . . . 6.5 109.482 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -84.89 -58.05 2.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.519 -0.764 . . . . 5.1500000000000004 111.72 -178.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.47 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 12.2 p80 -174.55 -37.01 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.116 0.413 . . . . 5.8799999999999999 112.116 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -89.22 -35.74 16.03 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.176 -0.61 . . . . 6.29 111.205 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 30.8 m170 58.27 -176.26 0.08 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.184 0.516 . . . . 10.4 112.34 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.412 ' HB3' ' H ' ' A' ' 101' ' ' HIS . 2.2 t60 51.96 -107.91 0.35 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.35 -0.841 . . . . 10.369999999999999 111.525 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.412 ' H ' ' HB3' ' A' ' 100' ' ' HIS . 2.6 t-80 -135.72 -42.24 0.68 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.033 0.444 . . . . 9.4900000000000002 109.866 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 115.619 -0.718 . . . . 12.66 109.324 179.425 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.82 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 110.144 -0.317 . . . . 6.9500000000000002 110.144 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 p -139.0 -86.18 0.24 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.044 0.449 . . . . 6.4699999999999998 110.108 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -129.15 139.34 51.97 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.148 -0.478 . . . . 3.3500000000000001 110.285 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' HG ' HG21 ' A' ' 15' ' ' ILE . 3.2 tp -75.85 79.96 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.594 . . . . 2.4900000000000002 110.839 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -111.39 144.17 41.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.074 -0.512 . . . . 2.9100000000000001 110.749 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -80.76 109.09 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.741 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -94.24 125.58 38.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.392 -0.367 . . . . 2.23 110.448 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -88.12 114.48 24.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.482 0.658 . . . . 2.52 109.783 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.1 -161.55 22.71 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.263 -0.88 . . . . 1.04 111.774 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -62.03 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.696 0.284 . . . . 3.1899999999999999 110.545 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 52.36 43.23 31.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.583 -0.735 . . . . 1.3799999999999999 110.496 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -160.13 172.37 17.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.93999999999999995 111.256 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -132.84 128.1 35.93 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.27 -1.011 . . . . 0.68999999999999995 108.27 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -139.96 152.72 46.56 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.06 0.457 . . . . 1.1599999999999999 111.269 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.482 HG21 ' HG ' ' A' ' 4' ' ' LEU . 60.8 mt -134.79 134.61 53.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.403 -0.817 . . . . 0.92000000000000004 109.473 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 -169.75 41.57 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.173 -1.013 . . . . 1.52 112.597 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.98 -31.08 50.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.344 0.592 . . . . 2.6200000000000001 110.097 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -159.17 170.73 21.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.033 -0.985 . . . . 1.6000000000000001 108.687 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.75 -35.77 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.221 0.534 . . . . 2.7200000000000002 110.047 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -86.45 -22.9 26.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.288 0.566 . . . . 2.9199999999999999 110.125 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -101.55 44.25 1.02 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.672 -0.694 . . . . 2.4500000000000002 109.546 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.04 131.27 41.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.544 -0.753 . . . . 1.1899999999999999 111.24 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 47' ' ' LEU . 51.5 mt -96.4 -15.55 21.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.846 -0.615 . . . . 1.3899999999999999 109.641 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.96 134.99 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.237 -0.892 . . . . 0.77000000000000002 109.048 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -153.23 134.87 14.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.247 0.546 . . . . 1.3300000000000001 112.028 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -128.75 130.01 68.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.324 -0.853 . . . . 0.40999999999999998 109.042 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 p -119.71 142.96 48.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.797 0.332 . . . . 0.59999999999999998 111.41 -178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -143.67 167.91 21.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.35 -0.611 . . . . 0.76000000000000001 109.35 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 154.05 34.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.68 0.276 . . . . 3.6299999999999999 110.862 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -80.37 103.13 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.249 -0.649 . . . . 0.82999999999999996 109.249 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.8 m -77.29 -31.93 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.435 -0.348 . . . . 0.83999999999999997 111.627 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -130.76 -88.89 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.35 -0.54 . . . . 1.74 111.698 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -126.31 -57.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.827 -0.349 . . . . 2.7200000000000002 111.796 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -121.6 4.78 10.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.342 0.591 . . . . 1.8400000000000001 110.203 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -94.2 116.81 29.26 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.341 -0.845 . . . . 2.25 111.319 -179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.1 pt -106.86 124.55 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.726 -0.67 . . . . 0.53000000000000003 109.598 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 11.8 t30 -105.99 131.09 53.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.155 -0.475 . . . . 1.8200000000000001 111.8 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.63 119.53 33.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.885 -0.598 . . . . 0.68999999999999995 109.662 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -102.12 -26.03 13.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.08 -0.509 . . . . 2.4700000000000002 111.943 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -143.84 135.06 25.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.56 . . . . 2.1200000000000001 111.728 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.58 103.75 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 0.72999999999999998 109.774 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -128.05 137.03 9.49 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.323 -0.942 . . . . 0.69999999999999996 112.784 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.72 132.1 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.404 -0.591 . . . . 0.93000000000000005 109.404 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 t -65.85 137.82 57.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.265 0.555 . . . . 1.8300000000000001 111.216 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -95.14 -30.8 13.85 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.275 -0.875 . . . . 3.1200000000000001 109.066 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.37 -22.36 66.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.075 -0.966 . . . . 3.7999999999999998 110.049 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD13 HD13 ' A' ' 23' ' ' LEU . 50.6 tp -61.65 -33.11 73.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.481 -0.782 . . . . 4.4699999999999998 110.38 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.51 -40.32 3.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.948 -0.644 . . . . 3.8599999999999999 112.491 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.51 93.72 1.67 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 121.136 -0.554 . . . . 3.0499999999999998 112.594 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -84.59 147.38 27.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.925 0.393 . . . . 3.4399999999999999 110.243 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.98 -17.91 8.03 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.594 -0.812 . . . . 1.1100000000000001 111.591 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.77 -31.72 40.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 1.1399999999999999 110.595 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.29 -38.01 95.51 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.949 -0.643 . . . . 0.58999999999999997 111.999 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -71.09 -34.07 70.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.757 -0.46 . . . . 2.02 109.757 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -70.17 -36.88 75.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.747 -0.66 . . . . 2.5699999999999998 109.81 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' O ' HG23 ' A' ' 60' ' ' VAL . 13.1 mt -66.16 -46.64 76.7 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.313 -0.625 . . . . 0.85999999999999999 109.313 178.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.0 tp -62.41 -34.69 77.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.588 -0.733 . . . . 1.29 109.433 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -61.37 -44.81 96.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.683 -0.69 . . . . 1.3899999999999999 109.615 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.46 98.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.781 -0.645 . . . . 0.56000000000000005 110.323 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 56' ' ' LEU . 59.9 t -62.76 -46.16 97.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.03 -0.532 . . . . 0.44 109.74 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.462 HG13 HG21 ' A' ' 91' ' ' VAL . 50.9 t -62.18 -44.74 99.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.751 -0.659 . . . . 0.53000000000000003 110.584 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -59.24 -50.06 75.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 1.76 110.166 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -62.17 -40.37 95.79 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.779 -0.646 . . . . 1.04 110.752 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.55 75.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.78 -0.645 . . . . 0.84999999999999998 110.998 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.63 -40.96 89.34 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.052 0.22 . . . . 3.1200000000000001 111.014 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.72 -27.71 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 1.8200000000000001 111.484 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -109.24 10.16 25.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.366 -0.379 . . . . 1.3999999999999999 111.323 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.6 t30 56.19 34.79 24.58 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.559 0.695 . . . . 2.1800000000000002 111.415 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.6 mt -87.32 162.23 17.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.88 -0.6 . . . . 0.78000000000000003 111.225 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.0 mptt -112.41 137.58 50.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.885 -0.783 . . . . 3.0499999999999998 108.885 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 92' ' ' TYR . 57.4 mt -109.13 132.49 57.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.323 0.582 . . . . 0.85999999999999999 112.032 -178.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -133.7 161.18 41.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 107.592 -1.262 . . . . 0.98999999999999999 107.592 177.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.03 130.8 18.03 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.531 -0.867 . . . . 0.5 113.2 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 m -94.86 -30.16 14.34 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.389 -0.967 . . . . 0.93999999999999995 108.389 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.24 129.54 41.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.779 -1.1 . . . . 1.3100000000000001 109.752 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -51.5 59.84 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.201 -0.454 . . . . 1.1200000000000001 112.194 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.495 ' CE2' H143 ' A' ' 103' ' ' ACO . 76.0 t80 -61.38 -50.31 73.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.654 -0.248 . . . . 0.94999999999999996 111.244 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.7 96.56 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.09 0.404 . . . . 0.5 112.09 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -63.13 -43.53 98.13 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.833 -0.432 . . . . 1.27 109.833 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -66.11 -30.34 70.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.966 -0.561 . . . . 1.21 109.928 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 44.9 mmm -70.75 -49.47 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.009 -0.541 . . . . 1.51 111.258 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.2 mt -68.1 -24.6 65.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.07 -0.514 . . . . 0.57999999999999996 111.328 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -84.32 -23.22 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.273 0.558 . . . . 1.46 110.21 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -85.96 -43.75 12.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.932 -0.576 . . . . 2.3300000000000001 110.573 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -83.07 94.84 7.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.009 -0.541 . . . . 1.6000000000000001 110.451 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.82 -16.83 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.74 -0.664 . . . . 2.6600000000000001 110.89 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -70.3 -7.6 43.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.906 -0.588 . . . . 1.46 111.298 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -113.22 14.71 19.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.824 0.345 . . . . 1.0 110.743 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.21 -17.84 64.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.909 0.337 . . . . 2.4199999999999999 111.909 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.519 -0.31 . . . . 2.4399999999999999 111.174 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.462 HG21 HG13 ' A' ' 61' ' ' VAL . 4.2 m -103.34 -32.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 121.095 -0.242 . . . . 0.87 110.998 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 47.4 t80 -86.52 137.49 32.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.336 . . . . 1.1399999999999999 110.156 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.93 46.6 0.8 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.336 -0.393 . . . . 1.4199999999999999 111.368 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.56 -25.6 65.03 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.992 -0.623 . . . . 3.6400000000000001 111.557 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 72.69 10.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.107 0.48 . . . . 6.5 110.103 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -81.88 -54.19 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.184 -0.462 . . . . 5.1500000000000004 111.649 -179.307 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.522 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 29.5 p80 -179.69 -35.17 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.186 0.439 . . . . 5.8799999999999999 112.186 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -90.81 -40.04 12.02 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.267 -0.573 . . . . 6.29 111.727 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.0 m170 61.7 172.67 0.12 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.198 0.523 . . . . 10.4 112.318 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.9 t60 59.65 -90.92 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.368 -0.833 . . . . 10.369999999999999 111.868 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.37 -31.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.762 0.315 . . . . 9.4900000000000002 110.874 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.605 -0.712 . . . . 12.66 110.045 179.727 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.694 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' HG2' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.35 0.595 . . . . 6.9500000000000002 110.099 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -78.86 0.51 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.019 -0.537 . . . . 6.4699999999999998 110.968 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.532 ' OD1' ' HG2' ' A' ' 5' ' ' GLU . 19.3 t-20 -151.61 154.86 37.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.945 -0.391 . . . . 3.3500000000000001 109.945 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.5 tp -84.56 57.82 4.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.073 0.464 . . . . 2.4900000000000002 110.957 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.532 ' HG2' ' OD1' ' A' ' 3' ' ' ASN . 9.4 mm-40 -91.38 134.35 34.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.11 -0.495 . . . . 2.9100000000000001 110.435 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.3 mt -73.58 94.74 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 1.0 109.644 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 12.0 mmmm -76.39 125.93 30.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.483 -0.78 . . . . 2.23 110.563 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -98.95 120.79 39.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.208 0.528 . . . . 2.52 110.259 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.25 -162.6 13.65 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.768 -0.651 . . . . 1.04 111.59 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.26 91.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.734 0.414 . . . . 3.1899999999999999 110.971 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 52.63 39.2 27.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.746 -0.661 . . . . 1.3799999999999999 111.198 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -155.32 156.68 35.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.93999999999999995 110.888 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -122.68 130.02 52.49 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.678 -0.86 . . . . 0.68999999999999995 108.678 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 14.8 p90 -143.28 151.16 40.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.196 0.522 . . . . 1.1599999999999999 111.035 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.98 120.64 50.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.652 -0.704 . . . . 0.92000000000000004 109.201 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.35 172.04 44.44 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.88 -0.676 . . . . 1.52 111.881 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -72.58 -28.25 62.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 2.6200000000000001 110.62 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -149.27 165.56 31.55 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.578 -0.527 . . . . 1.6000000000000001 109.578 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.41 -29.41 70.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.888 0.375 . . . . 2.7200000000000002 110.607 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -95.11 4.57 53.53 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.539 0.685 . . . . 2.9199999999999999 109.909 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -126.63 43.86 3.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.553 -0.749 . . . . 2.4500000000000002 110.092 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.26 114.03 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.969 -0.559 . . . . 1.1899999999999999 110.693 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -84.04 -11.27 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.351 0.596 . . . . 1.3899999999999999 109.486 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.71 128.02 2.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.116 -0.947 . . . . 0.77000000000000002 108.927 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -148.11 138.84 23.04 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.211 0.529 . . . . 1.3300000000000001 111.967 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -134.04 128.99 53.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.204 -0.907 . . . . 0.40999999999999998 109.285 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 p -117.87 137.74 52.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.92 0.391 . . . . 0.59999999999999998 111.574 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -135.75 167.07 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.408 -0.59 . . . . 0.76000000000000001 109.408 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -161.2 154.97 22.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.818 0.342 . . . . 3.6299999999999999 111.109 -179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -84.12 114.74 21.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.902 -0.777 . . . . 0.82999999999999996 108.902 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.3 m -90.8 -29.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 112.24 0.459 . . . . 0.83999999999999997 112.24 -178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 10.8 t70 -131.93 -81.28 0.51 Allowed 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.673 -0.411 . . . . 1.74 111.066 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -131.44 -70.04 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 2.7200000000000002 111.387 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -110.57 0.07 17.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.205 0.526 . . . . 1.8400000000000001 110.216 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 15.1 mp0 -84.49 116.48 23.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.686 -0.688 . . . . 2.25 110.999 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 pt -107.39 121.74 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.03 -0.532 . . . . 0.53000000000000003 109.659 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 9.6 t30 -103.66 125.62 50.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 1.8200000000000001 111.759 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.71 124.21 40.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 108.811 -0.811 . . . . 0.68999999999999995 108.811 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -100.84 -53.56 3.03 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.169 0.433 . . . . 2.4700000000000002 112.169 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -112.73 140.53 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.323 0.583 . . . . 2.1200000000000001 112.035 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 m -148.8 107.71 3.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.096 -0.956 . . . . 0.72999999999999998 108.524 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.33 152.65 22.51 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.208 -0.996 . . . . 0.69999999999999996 113.104 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.0 t -140.48 125.99 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.485 -0.561 . . . . 0.93000000000000005 109.485 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 m -92.88 132.2 37.24 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.208 0.528 . . . . 1.8300000000000001 110.763 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.28 -8.45 53.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.731 -0.668 . . . . 3.1200000000000001 111.602 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -61.5 -20.83 63.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.938 0.399 . . . . 3.7999999999999998 111.316 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -75.63 -27.04 58.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.17 0.509 . . . . 4.4699999999999998 110.518 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.15 -50.65 1.31 Allowed Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.36 -0.696 . . . . 3.8599999999999999 111.36 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -79.4 144.77 27.28 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.042 -0.599 . . . . 3.0499999999999998 111.972 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.94 165.42 12.61 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.212 -0.292 . . . . 3.4399999999999999 110.212 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.24 10.0 78.68 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.598 -0.81 . . . . 1.1100000000000001 113.04 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -60.86 -32.92 53.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.919 0.39 . . . . 1.1399999999999999 110.919 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.7 -27.93 67.21 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.857 -0.611 . . . . 0.58999999999999997 112.289 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -70.07 -32.09 70.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.941 0.4 . . . . 2.02 110.204 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -73.33 -40.5 64.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.547 -0.538 . . . . 2.5699999999999998 109.547 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.95 -47.47 77.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.523 -0.762 . . . . 0.85999999999999999 109.965 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.12 -38.39 88.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.703 -0.681 . . . . 1.29 110.26 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -58.01 -42.94 86.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.239 -0.437 . . . . 1.3899999999999999 110.308 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.36 94.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.793 -0.64 . . . . 0.56000000000000005 110.323 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.35 -46.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.914 -0.402 . . . . 0.44 109.914 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.454 HG13 HG21 ' A' ' 91' ' ' VAL . 54.7 t -59.53 -44.68 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.754 -0.657 . . . . 0.53000000000000003 110.44 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 19.9 mt-10 -65.92 -45.62 81.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 1.76 111.025 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.524 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.8 t60 -65.75 -35.75 81.62 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.785 0.326 . . . . 1.04 111.043 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.72 93.17 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.84999999999999998 110.134 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 90' ' ' ASP . 27.8 tpt180 -62.18 -37.45 85.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.545 . . . . 3.1200000000000001 110.546 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.524 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 51.9 mt-10 -63.12 -36.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.8200000000000001 111.665 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.444 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 38.2 m-80 -103.85 5.52 35.9 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.429 0.529 . . . . 1.3999999999999999 112.429 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.16 37.27 20.87 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.747 0.784 . . . . 2.1800000000000002 110.542 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.444 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 69.4 mt -83.53 158.26 22.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.78000000000000003 110.821 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.6 mptt -104.3 125.15 50.31 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.827 -0.805 . . . . 3.0499999999999998 108.827 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 61' ' ' VAL . 53.8 mt -96.67 125.93 49.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.56 0.695 . . . . 0.85999999999999999 112.829 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 1.4 pt -135.05 153.03 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.444 -1.317 . . . . 0.98999999999999999 107.444 177.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.61 141.14 37.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.993 -0.683 . . . . 0.5 112.669 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 m -92.83 -32.23 14.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.322 -0.854 . . . . 0.93999999999999995 108.923 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -67.18 129.49 40.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.265 -0.88 . . . . 1.3100000000000001 109.845 179.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 m -57.04 -35.18 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.437 -0.347 . . . . 1.1200000000000001 111.323 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -65.08 -62.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.911 -0.586 . . . . 0.94999999999999996 111.838 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' A' ' 82' ' ' LEU . . . -58.01 -42.35 85.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.5 111.796 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.86 -39.54 89.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 1.27 110.202 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.484 ' HA ' ' HG2' ' A' ' 83' ' ' GLU . 69.3 t60 -69.79 -29.99 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.21 110.91 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 85.7 mtp -70.57 -35.65 73.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.956 0.408 . . . . 1.51 110.606 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 78' ' ' ALA . 45.5 mt -72.11 -45.38 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.638 -0.71 . . . . 0.57999999999999996 111.0 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 26.1 pt-20 -73.22 -19.54 61.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 1.46 111.503 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 80' ' ' HIS . 5.6 ttpp -75.63 -11.4 60.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.195 0.522 . . . . 2.3300000000000001 110.448 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.65 106.66 11.95 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.997 -0.547 . . . . 1.6000000000000001 110.39 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.82 -27.14 68.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.518 0.675 . . . . 2.6600000000000001 110.235 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 m -79.13 -0.28 31.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.438 -0.801 . . . . 1.46 111.991 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -92.9 4.73 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.947 0.403 . . . . 1.0 110.56 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -70.74 0.92 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 2.4199999999999999 111.813 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.412 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 16.8 p-10 -82.97 -22.66 33.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.193 0.52 . . . . 2.4399999999999999 109.672 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.454 HG21 HG13 ' A' ' 61' ' ' VAL . 4.9 m -124.64 -31.66 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.529 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -88.39 137.57 32.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 1.1399999999999999 109.832 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt -75.09 67.85 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 1.4199999999999999 111.211 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -102.46 -17.63 19.05 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.903 -0.665 . . . . 3.6400000000000001 112.025 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.503 ' HA ' ' NE2' ' A' ' 99' ' ' HIS . 0.2 OUTLIER -92.75 79.61 4.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.96 0.41 . . . . 6.5 110.544 179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -94.92 -58.94 2.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.197 -0.456 . . . . 5.1500000000000004 111.35 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.501 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 24.0 p80 -178.29 -38.67 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.607 0.595 . . . . 5.8799999999999999 112.607 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -88.4 -40.89 13.17 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.344 -0.542 . . . . 6.29 112.173 -177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.503 ' NE2' ' HA ' ' A' ' 95' ' ' LEU . 10.3 m80 59.62 -177.5 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.442 0.534 . . . . 10.4 112.442 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.2 t60 56.82 -93.17 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.602 -0.726 . . . . 10.369999999999999 111.479 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -154.78 -41.81 0.09 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.763 -0.458 . . . . 9.4900000000000002 109.763 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.242 0.699 0 CA-C-O 118.596 -0.716 . . . . 12.66 109.618 178.878 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.576 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 109.895 -0.409 . . . . 6.9500000000000002 109.895 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -132.92 -72.38 0.51 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.076 0.465 . . . . 6.4699999999999998 110.508 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -162.99 153.92 16.95 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.135 -0.691 . . . . 3.3500000000000001 109.135 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.93 62.85 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.974 0.416 . . . . 2.4900000000000002 111.051 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 15' ' ' ILE . 12.2 mm-40 -94.01 145.02 24.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.604 . . . . 2.9100000000000001 110.353 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -79.53 97.01 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.855 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 18.9 mmmt -90.99 117.52 29.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 2.23 110.369 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.19 129.05 39.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.282 0.563 . . . . 2.52 110.046 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.58 -153.14 10.58 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.485 -0.78 . . . . 1.04 111.19 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 89.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.694 0.247 . . . . 3.1899999999999999 110.349 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.552 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 40.2 m-80 52.6 44.54 29.97 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.779 -0.646 . . . . 1.3799999999999999 110.14 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.2 pttt -154.63 168.81 25.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.821 -0.627 . . . . 0.93999999999999995 111.376 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -132.1 119.45 20.99 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.751 -0.833 . . . . 0.68999999999999995 108.751 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 25.6 p90 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.891 0.377 . . . . 1.1599999999999999 110.886 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 5' ' ' GLU . 61.6 mt -136.05 131.9 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.804 -0.635 . . . . 0.92000000000000004 109.736 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.81 -157.0 28.84 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.708 -0.758 . . . . 1.52 112.314 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -86.84 -35.45 19.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.099 0.476 . . . . 2.6200000000000001 110.39 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -150.15 169.45 21.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.477 -0.783 . . . . 1.6000000000000001 109.517 -178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.56 -40.07 71.45 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.241 0.543 . . . . 2.7200000000000002 110.057 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -87.52 -27.09 22.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.433 0.635 . . . . 2.9199999999999999 109.739 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -96.59 44.24 1.07 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.762 0.791 . . . . 2.4500000000000002 109.234 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.62 128.17 34.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.98 -1.009 . . . . 1.1899999999999999 110.286 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.82 -11.76 55.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.143 0.497 . . . . 1.3899999999999999 110.097 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -163.68 134.33 4.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.664 -0.698 . . . . 0.77000000000000002 109.61 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 126.44 12.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.987 0.422 . . . . 1.3300000000000001 110.828 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 tt -122.12 120.44 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.475 -0.784 . . . . 0.40999999999999998 109.324 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.554 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.22 145.49 38.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.005 -0.543 . . . . 0.59999999999999998 111.365 -179.157 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -143.54 170.15 16.37 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.791 -0.64 . . . . 0.76000000000000001 109.978 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.552 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -152.54 154.55 35.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 3.6299999999999999 110.301 179.503 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -88.85 103.26 15.84 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.302 -0.629 . . . . 0.82999999999999996 109.302 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.6 m -71.66 -40.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.83999999999999997 112.252 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.443 ' HB3' ' OE1' ' A' ' 35' ' ' GLU . 13.9 t70 -125.71 -81.63 0.62 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.739 -0.385 . . . . 1.74 111.307 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -134.71 -60.87 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.117 0.414 . . . . 2.7200000000000002 112.117 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -111.79 -3.87 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.101 0.477 . . . . 1.8400000000000001 110.744 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' OE1' ' HB3' ' A' ' 32' ' ' ASP . 10.8 mp0 -85.08 117.51 24.08 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.971 -0.559 . . . . 2.25 111.678 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 pt -106.53 119.36 55.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.698 -0.683 . . . . 0.53000000000000003 109.314 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 12.1 t30 -102.68 119.84 39.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.241 -0.436 . . . . 1.8200000000000001 111.751 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mp -84.68 110.13 18.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.448 -0.945 . . . . 0.68999999999999995 108.448 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.13 -30.74 13.88 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.267 0.469 . . . . 2.4700000000000002 112.267 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.554 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 65.5 t60 -131.69 126.15 33.87 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.277 -0.569 . . . . 2.1200000000000001 112.276 -178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -133.04 89.31 2.6 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.338 -0.986 . . . . 0.72999999999999998 108.338 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.78 132.98 11.05 Favored Glycine 0 N--CA 1.442 -0.96 0 C-N-CA 120.2 -1.0 . . . . 0.69999999999999996 113.199 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' HB ' H142 ' A' ' 103' ' ' ACO . 44.3 t -130.67 132.13 64.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.678 -0.86 . . . . 0.93000000000000005 108.678 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -82.19 122.31 27.73 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.086 0.47 . . . . 1.8300000000000001 110.927 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -99.95 12.36 37.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.396 0.617 . . . . 3.1200000000000001 109.94 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.64 -6.66 21.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.572 -0.74 . . . . 3.7999999999999998 111.191 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.46 9.06 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.249 -0.432 . . . . 4.4699999999999998 110.201 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.71 -129.23 8.17 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.805 -0.712 . . . . 3.8599999999999999 112.267 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.15 80.78 0.3 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.094 -0.574 . . . . 3.0499999999999998 111.677 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -86.6 109.24 19.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.102 0.477 . . . . 3.4399999999999999 111.485 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.44 32.85 6.7 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 110.984 -0.847 . . . . 1.1100000000000001 110.984 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -62.31 -30.3 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.419 -0.391 . . . . 1.1399999999999999 111.209 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -58.33 -34.28 73.94 Favored Glycine 0 C--N 1.331 0.266 0 C-N-CA 121.005 -0.617 . . . . 0.58999999999999997 112.287 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -68.29 -41.45 80.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.207 0.527 . . . . 2.02 109.759 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.6 tttp -68.18 -40.09 82.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.744 . . . . 2.5699999999999998 110.244 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 60' ' ' VAL . 30.5 mt -63.25 -46.71 85.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.76 -0.654 . . . . 0.85999999999999999 110.768 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 61' ' ' VAL . 16.9 tp -63.77 -35.18 79.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 1.29 110.297 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -60.52 -43.11 97.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.413 -0.358 . . . . 1.3899999999999999 110.123 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.07 79.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.545 . . . . 0.56000000000000005 110.177 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 56' ' ' LEU . 81.7 t -66.79 -45.3 88.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.284 -0.635 . . . . 0.44 109.284 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' HA ' HD11 ' A' ' 71' ' ' ILE . 70.6 t -59.68 -46.08 93.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 115.685 -0.689 . . . . 0.53000000000000003 110.105 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 47.9 mt-10 -60.08 -48.66 80.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.537 -0.756 . . . . 1.76 110.469 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.516 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 4.7 t60 -63.04 -36.74 84.57 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.898 -0.592 . . . . 1.04 110.756 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -44.18 92.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.527 . . . . 0.84999999999999998 110.085 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -62.14 -32.45 73.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.032 -0.531 . . . . 3.1200000000000001 110.817 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 65.4 mt-10 -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.078 -0.51 . . . . 1.8200000000000001 111.412 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.44 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 41.0 m-80 -108.87 9.4 26.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.333 -0.394 . . . . 1.3999999999999999 111.803 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.0 t30 56.45 38.11 29.4 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.581 0.705 . . . . 2.1800000000000002 110.713 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 67' ' ' ASN . 72.7 mt -81.4 159.3 24.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.681 -0.69 . . . . 0.78000000000000003 110.93 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 8.1 mptt -106.24 127.9 53.56 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.869 -0.789 . . . . 3.0499999999999998 108.869 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 61' ' ' VAL . 51.5 mt -96.33 132.76 39.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 112.851 0.686 . . . . 0.85999999999999999 112.851 -177.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.531 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 3.0 pt -143.87 157.94 16.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.204 -1.406 . . . . 0.98999999999999999 107.204 177.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.73 134.01 14.3 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.718 -0.793 . . . . 0.5 112.607 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -25.15 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.917 -0.771 . . . . 0.93999999999999995 108.917 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 52.7 t -71.76 121.39 18.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.276 -0.875 . . . . 1.3100000000000001 109.26 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -55.24 -38.95 69.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.296 0.48 . . . . 1.1200000000000001 112.296 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CE2' H143 ' A' ' 103' ' ' ACO . 40.9 t80 -62.37 -55.85 24.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.32 . . . . 0.94999999999999996 111.07 -179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.48 97.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.261 -0.427 . . . . 0.5 111.257 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 13.1 tmtt? -60.27 -47.05 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.028 -0.533 . . . . 1.27 110.642 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -67.94 -29.78 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.303 -0.408 . . . . 1.21 111.632 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tpp -63.39 -38.08 89.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.389 -0.597 . . . . 1.51 109.389 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.527 HD13 ' CD1' ' A' ' 92' ' ' TYR . 11.4 mt -72.78 -33.32 66.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.515 -0.766 . . . . 0.57999999999999996 110.328 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 56.4 mt-10 -69.99 -29.2 66.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.507 0.67 . . . . 1.46 109.918 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.85 -24.01 55.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.084 -0.962 . . . . 2.3300000000000001 111.149 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -111.85 97.4 6.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.223 0.535 . . . . 1.6000000000000001 111.167 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.33 -29.2 70.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.455 -0.793 . . . . 2.6600000000000001 110.725 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -11.89 61.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.808 -0.633 . . . . 1.46 111.68 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -95.26 2.27 54.79 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.641 0.258 . . . . 1.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.32 3.71 10.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.776 0.322 . . . . 2.4199999999999999 111.524 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -77.96 -25.62 48.3 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.625 -0.509 . . . . 2.4399999999999999 109.625 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG21 HG13 ' A' ' 61' ' ' VAL . 2.6 m -118.56 -29.18 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.571 -0.741 . . . . 0.87 110.134 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.527 ' CD1' HD13 ' A' ' 82' ' ' LEU . 55.2 t80 -80.15 137.13 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.638 -0.504 . . . . 1.1399999999999999 109.638 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.36 67.87 4.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.043 0.449 . . . . 1.4199999999999999 110.738 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -104.6 -27.96 5.87 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.981 -0.628 . . . . 3.6400000000000001 111.747 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 86.0 7.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.087 0.47 . . . . 6.5 110.153 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -89.1 -54.87 3.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.999 -0.546 . . . . 5.1500000000000004 111.18 -179.554 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.575 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 21.6 p80 -179.93 -39.57 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.268 0.47 . . . . 5.8799999999999999 112.268 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -87.04 -37.72 17.2 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.508 -0.477 . . . . 6.29 112.127 -177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.9 m80 61.27 -178.5 0.11 Allowed 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.288 0.566 . . . . 10.4 112.214 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.1 t60 59.47 -91.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.388 -0.823 . . . . 10.369999999999999 112.743 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -158.26 -66.84 0.09 Allowed 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 112.348 0.499 . . . . 9.4900000000000002 112.348 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.395 -0.812 . . . . 12.66 110.522 -179.217 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.553 ' O9P' H141 ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.73 0.3 . . . . 6.9500000000000002 110.39 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -82.86 59.34 4.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.115 0.483 . . . . 6.4699999999999998 110.105 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -99.93 -176.37 3.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.901 -0.59 . . . . 3.3500000000000001 109.567 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp 60.92 28.64 18.41 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.157 0.503 . . . . 2.4900000000000002 110.765 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -76.79 162.85 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 2.9100000000000001 109.694 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 59' ' ' ALA . 7.4 mt -75.2 96.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.182 0.515 . . . . 1.0 110.156 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -80.72 124.26 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.617 -0.719 . . . . 2.23 110.129 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -77.17 143.2 39.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.232 0.539 . . . . 2.52 110.753 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.39 -168.46 12.17 Favored Glycine 0 N--CA 1.441 -1.004 0 CA-C-N 115.631 -0.713 . . . . 1.04 111.337 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 10' ' ' GLU . 4.7 pt-20 -65.8 94.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.841 0.353 . . . . 3.1899999999999999 111.087 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.41 33.49 22.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.53 -0.759 . . . . 1.3799999999999999 110.6 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 38.6 pttt -159.72 -179.41 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 0.93999999999999995 111.44 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -135.89 141.28 44.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.427 -0.953 . . . . 0.68999999999999995 108.427 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -152.02 163.04 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.274 0.559 . . . . 1.1599999999999999 111.679 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.3 mt -131.53 126.76 58.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.447 -0.797 . . . . 0.92000000000000004 109.577 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.29 174.37 24.3 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.582 -0.818 . . . . 1.52 112.543 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -62.67 -58.38 7.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 2.6200000000000001 110.8 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -135.19 164.15 28.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.106 -0.702 . . . . 1.6000000000000001 109.106 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.16 -33.96 76.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.599 0.222 . . . . 2.7200000000000002 111.599 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -68.72 -41.42 79.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.25 0.548 . . . . 2.9199999999999999 109.768 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.74 35.94 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 2.4500000000000002 110.053 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.25 132.43 49.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 1.1899999999999999 111.159 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.06 -41.58 64.0 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.964 -0.754 . . . . 1.3899999999999999 108.964 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -157.84 148.01 20.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.174 -0.921 . . . . 0.77000000000000002 110.416 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -150.57 149.36 29.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.02 0.438 . . . . 1.3300000000000001 110.686 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 15.1 tt -135.82 127.01 44.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.075 -0.713 . . . . 0.40999999999999998 109.075 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.9 p -108.98 142.73 39.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.722 0.296 . . . . 0.59999999999999998 111.462 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 37' ' ' ASN . 51.4 p90 -135.12 150.98 50.3 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.887 -0.412 . . . . 0.76000000000000001 109.887 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -139.79 156.2 46.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.915 0.388 . . . . 3.6299999999999999 110.577 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -88.73 106.27 18.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.115 -0.493 . . . . 0.82999999999999996 110.156 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 m -81.65 -24.97 9.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.195 0.522 . . . . 0.83999999999999997 110.644 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -136.6 -97.09 0.22 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.826 -0.625 . . . . 1.74 109.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -149.34 -49.74 0.14 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.39 -0.596 . . . . 2.7200000000000002 109.39 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 69' ' ' LEU . 2.8 t30 -107.24 17.01 23.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.544 -0.753 . . . . 1.8400000000000001 109.545 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -131.5 126.13 34.17 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.468 -0.787 . . . . 2.25 110.167 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 pt -122.08 139.21 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.426 . . . . 0.53000000000000003 110.473 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.537 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 1.6 p-10 -111.94 142.37 44.42 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.208 -0.451 . . . . 1.8200000000000001 111.272 -179.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 91.1 mt -86.55 105.75 15.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.755 -1.202 . . . . 0.68999999999999995 107.755 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -60.06 -69.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 2.4700000000000002 111.614 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.504 ' HB2' HH31 ' A' ' 103' ' ' ACO . 10.4 p-80 -137.16 147.79 46.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.027 0.441 . . . . 2.1200000000000001 111.165 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 m -118.93 129.86 55.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.545 -0.752 . . . . 0.72999999999999998 109.914 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -140.32 104.09 0.39 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.448 -0.882 . . . . 0.69999999999999996 111.821 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' HB ' H142 ' A' ' 103' ' ' ACO . 5.2 t -117.7 159.46 17.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 110.275 -0.268 . . . . 0.93000000000000005 110.275 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.03 129.37 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.8300000000000001 110.977 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.31 -25.12 63.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.895 -0.593 . . . . 3.1200000000000001 110.854 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -75.25 61.67 1.19 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.997 0.427 . . . . 3.7999999999999998 111.672 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' GLN . 26.4 mt 64.13 16.26 9.88 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.619 -0.719 . . . . 4.4699999999999998 111.683 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.62 -28.98 72.8 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.624 -0.798 . . . . 3.8599999999999999 111.666 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.87 7.29 51.58 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.891 -0.671 . . . . 3.0499999999999998 112.453 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.5 mm100 -91.52 -31.21 16.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.833 0.349 . . . . 3.4399999999999999 110.699 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.46 -52.27 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.611 -0.804 . . . . 1.1100000000000001 112.189 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -58.39 -49.85 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 120.919 0.39 . . . . 1.1399999999999999 111.438 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.1 -41.34 99.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.951 -0.642 . . . . 0.58999999999999997 112.755 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -68.71 -28.37 66.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 2.02 110.077 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -68.79 -39.75 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 2.5699999999999998 110.262 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.8 mt -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.889 -0.596 . . . . 0.85999999999999999 110.185 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.52 -37.7 84.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 1.29 109.813 179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -61.64 -41.5 97.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.33 -0.85 . . . . 1.3899999999999999 110.751 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.647 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -59.68 -45.96 90.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.56000000000000005 111.345 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.7 t -61.75 -47.24 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 0.44 110.672 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 58.6 t -66.7 -34.92 73.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.328 -0.396 . . . . 0.53000000000000003 111.064 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -57.2 -53.48 57.64 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.946 0.403 . . . . 1.76 110.119 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 27.3 t60 -65.23 -28.95 69.72 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.981 -0.554 . . . . 1.04 109.994 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.58 -28.15 66.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.681 -0.691 . . . . 0.84999999999999998 110.605 179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' VAL . 30.8 mmt180 -76.39 -32.54 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 3.1200000000000001 110.109 178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.512 ' OE1' ' HA ' ' A' ' 63' ' ' HIS . 41.5 mt-10 -66.99 -51.47 54.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.645 -0.707 . . . . 1.8200000000000001 111.375 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' HB2' ' HG ' ' A' ' 69' ' ' LEU . 4.5 m120 -92.47 -10.7 36.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.079 -0.509 . . . . 1.3999999999999999 112.18 -177.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 60.67 63.62 1.3 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.187 0.518 . . . . 2.1800000000000002 109.869 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 mt -105.02 165.72 10.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.629 -0.714 . . . . 0.78000000000000003 111.282 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -90.09 133.68 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.205 -0.665 . . . . 3.0499999999999998 109.205 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.464 HD11 ' HB2' ' A' ' 64' ' ' ALA . 48.3 mm -109.6 122.16 63.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.966 0.413 . . . . 0.85999999999999999 111.753 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -132.53 146.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.379 -0.971 . . . . 0.98999999999999999 108.379 177.379 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.16 138.64 54.15 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.952 0.406 . . . . 0.5 111.87 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.2 m -84.88 -35.69 22.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.844 -0.616 . . . . 0.93999999999999995 109.58 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -74.64 130.86 40.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.451 -0.795 . . . . 1.3100000000000001 110.062 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.8 m -60.29 -35.82 76.44 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.777 0.288 . . . . 1.1200000000000001 111.777 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.469 ' O ' ' HG3' ' A' ' 81' ' ' MET . 12.0 t80 -63.22 -57.25 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.627 -0.261 . . . . 0.94999999999999996 110.586 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.53 79.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.425 . . . . 0.5 110.861 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 -43.61 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.82 -0.627 . . . . 1.27 110.134 179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 81.4 t60 -74.61 -26.75 60.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 1.21 111.163 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 77' ' ' PHE . 91.7 mtp -63.22 -47.34 82.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.914 0.388 . . . . 1.51 110.129 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.25 -30.8 63.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.346 0.593 . . . . 0.57999999999999996 109.969 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 80' ' ' HIS . 36.2 tt0 -68.39 -22.73 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.141 -0.936 . . . . 1.46 110.898 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.36 -15.48 56.76 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 2.3300000000000001 111.764 -178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -120.08 119.25 32.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.076 -0.39 . . . . 1.6000000000000001 111.659 -178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -31.97 73.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 2.6600000000000001 110.289 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 m -62.54 -36.15 81.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.643 -0.708 . . . . 1.46 110.933 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.422 ' O ' ' HB3' ' A' ' 92' ' ' TYR . 6.2 m-30 -72.8 -23.17 60.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.12 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -66.1 -7.8 19.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.364 -0.38 . . . . 2.4199999999999999 111.97 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -63.66 -43.57 96.36 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.992 -0.744 . . . . 2.4399999999999999 108.992 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 m -104.98 -37.03 4.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.126 -0.943 . . . . 0.87 110.459 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 71' ' ' ILE . 2.8 t80 -75.84 135.58 40.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.113 -0.494 . . . . 1.1399999999999999 109.742 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.4 mt -76.86 81.93 3.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.386 0.612 . . . . 1.4199999999999999 111.156 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.71 4.13 56.31 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.47 -0.786 . . . . 3.6400000000000001 112.167 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -61.48 -36.53 80.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 6.5 110.443 179.626 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' N ' ' HG ' ' A' ' 95' ' ' LEU . 20.6 mm-40 -84.05 105.15 14.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.892 -0.411 . . . . 5.1500000000000004 109.892 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -129.99 30.98 4.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.969 -0.56 . . . . 5.8799999999999999 110.161 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 99' ' ' HIS . 18.1 t-160 -67.89 116.92 9.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 6.29 110.28 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 98' ' ' HIS . 86.2 t60 73.68 94.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 124.131 0.894 . . . . 10.4 111.237 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -128.66 72.48 1.45 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.568 -0.742 . . . . 10.369999999999999 109.329 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -116.0 76.51 1.02 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.856 -0.611 . . . . 9.4900000000000002 110.155 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 118.571 -0.728 . . . . 12.66 110.57 -179.512 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.504 HH31 ' HB2' ' A' ' 40' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.259 -0.275 . . . . 6.9500000000000002 110.259 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 p -153.27 -77.73 0.11 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 6.4699999999999998 110.589 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -148.05 139.25 23.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.931 -0.577 . . . . 3.3500000000000001 109.556 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.52 71.39 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.072 0.463 . . . . 2.4900000000000002 111.171 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -92.61 143.59 26.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.869 -0.605 . . . . 2.9100000000000001 109.912 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -75.04 95.08 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.194 0.521 . . . . 1.0 110.257 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -87.04 130.52 34.44 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.726 -0.67 . . . . 2.23 110.226 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -108.84 144.79 36.25 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.16 0.505 . . . . 2.52 110.201 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.81 -155.04 8.29 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.21 -0.756 . . . . 1.04 111.21 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.33 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.323 -0.251 . . . . 3.1899999999999999 110.323 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.48 ' HB2' ' NH2' ' A' ' 29' ' ' ARG . 42.7 m-80 53.44 42.46 31.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.621 -0.718 . . . . 1.3799999999999999 109.888 -178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -150.15 164.13 36.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.93999999999999995 111.312 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 56' ' ' LEU . 42.7 m-85 -131.51 137.15 48.41 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.97 -1.122 . . . . 0.68999999999999995 107.97 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -156.41 156.44 33.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.283 0.563 . . . . 1.1599999999999999 111.86 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.634 HG13 HD21 ' A' ' 56' ' ' LEU . 73.8 mt -136.27 124.95 37.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.183 -0.917 . . . . 0.92000000000000004 108.902 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.8 173.85 46.37 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.366 -0.921 . . . . 1.52 112.468 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -68.58 -33.66 74.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.302 0.572 . . . . 2.6200000000000001 110.854 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -149.37 170.49 18.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.614 -0.721 . . . . 1.6000000000000001 109.195 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.36 -40.97 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 2.7200000000000002 110.237 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -85.0 -19.79 31.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.135 0.493 . . . . 2.9199999999999999 110.239 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.42 41.08 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.763 -0.653 . . . . 2.4500000000000002 109.926 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.24 111.52 8.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.743 -0.662 . . . . 1.1899999999999999 110.548 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.2 mt -73.57 -32.67 64.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.442 0.639 . . . . 1.3899999999999999 109.317 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -144.59 129.75 18.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.06 -0.973 . . . . 0.77000000000000002 109.195 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.79 131.08 19.6 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.968 0.414 . . . . 1.3300000000000001 111.023 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.9 tt -128.11 119.61 51.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.648 -0.705 . . . . 0.40999999999999998 109.286 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.476 ' OG1' ' HB3' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -111.62 144.98 40.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.985 -0.552 . . . . 0.59999999999999998 111.304 -179.285 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HB3' HG12 ' A' ' 38' ' ' ILE . 46.0 p90 -143.72 175.83 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.778 -0.647 . . . . 0.76000000000000001 109.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NH2' ' HB2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -160.61 151.7 18.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.76 0.314 . . . . 3.6299999999999999 110.94 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -82.89 104.38 13.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.63 -0.878 . . . . 0.82999999999999996 108.63 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.57 -16.93 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.565 0.58 . . . . 0.83999999999999997 112.565 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -139.47 -90.63 0.19 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.826 -0.35 . . . . 1.74 110.842 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -128.74 -60.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.276 -0.265 . . . . 2.7200000000000002 111.191 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -115.95 -3.61 12.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 1.8400000000000001 110.543 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -84.55 120.61 26.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.633 -0.712 . . . . 2.25 111.16 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.8 pt -109.49 117.86 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.53000000000000003 109.856 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 22.6 t30 -94.13 122.87 37.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.783 -0.644 . . . . 1.8200000000000001 111.587 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.413 HG12 ' HB3' ' A' ' 28' ' ' TYR . 52.7 mt -100.75 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.676 -0.861 . . . . 0.68999999999999995 108.676 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' C ' ' HB2' ' A' ' 75' ' ' CYS . 14.6 t70 -114.63 -18.98 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.132 0.419 . . . . 2.4700000000000002 112.132 -178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.476 ' HB3' ' OG1' ' A' ' 27' ' ' THR . 38.8 t60 -121.65 127.47 50.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.172 0.51 . . . . 2.1200000000000001 111.058 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.03 109.88 4.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.577 -0.738 . . . . 0.72999999999999998 109.857 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -115.42 133.39 10.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.8 -0.714 . . . . 0.69999999999999996 111.865 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.62 123.84 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 110.337 -0.246 . . . . 0.93000000000000005 110.337 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 m -81.13 112.16 18.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.649 -0.5 . . . . 1.8300000000000001 109.649 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.606 ' HA ' HE22 ' A' ' 50' ' ' GLN . 6.3 p-10 -88.13 -18.14 29.46 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.973 -0.558 . . . . 3.1200000000000001 110.906 -179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -73.33 -13.43 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.977 0.418 . . . . 3.7999999999999998 110.171 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.5 tp -76.63 -37.71 55.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.757 -0.656 . . . . 4.4699999999999998 110.449 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.5 -15.99 34.87 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.838 -0.619 . . . . 3.8599999999999999 111.626 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.2 91.15 1.7 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.066 -0.587 . . . . 3.0499999999999998 112.368 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.606 HE22 ' HA ' ' A' ' 45' ' ' ASP . 1.3 mp0 -84.68 -26.66 27.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.849 0.357 . . . . 3.4399999999999999 110.954 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.51 -12.31 83.88 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.614 -0.803 . . . . 1.1100000000000001 112.289 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 t -63.02 -43.84 99.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 1.1399999999999999 110.843 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.36 -34.69 88.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.85 -0.691 . . . . 0.58999999999999997 111.74 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -71.32 -34.22 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 2.02 110.368 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -61.06 -42.41 98.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.841 -0.618 . . . . 2.5699999999999998 110.237 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.634 HD21 HG13 ' A' ' 15' ' ' ILE . 63.5 mt -69.11 -44.11 73.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.954 -0.566 . . . . 0.85999999999999999 110.65 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 61' ' ' VAL . 30.9 tp -61.02 -42.14 97.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.041 -0.527 . . . . 1.29 110.125 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.89 -41.45 96.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.572 -0.74 . . . . 1.3899999999999999 110.216 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.89 97.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.097 -0.501 . . . . 0.56000000000000005 110.605 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.47 -47.78 91.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 0.44 109.999 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' HA ' HD11 ' A' ' 71' ' ' ILE . 86.8 t -61.66 -46.01 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.589 . . . . 0.53000000000000003 110.742 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 26.3 mt-10 -62.56 -45.79 91.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.099 -0.5 . . . . 1.76 110.841 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.456 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.1 t60 -65.33 -33.59 76.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.86 0.362 . . . . 1.04 110.372 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.73 -43.72 92.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 0.84999999999999998 109.663 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -62.68 -34.51 77.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 3.1200000000000001 110.173 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 57.9 mt-10 -63.97 -34.7 78.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 1.8200000000000001 112.0 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -114.52 11.38 17.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.771 0.656 . . . . 1.3999999999999999 112.771 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 t30 58.72 43.99 17.86 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.409 0.623 . . . . 2.1800000000000002 111.028 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -89.26 158.54 17.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.836 -0.62 . . . . 0.78000000000000003 110.347 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 11.3 mptt -111.25 125.79 54.19 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.217 -0.661 . . . . 3.0499999999999998 109.217 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 61' ' ' VAL . 57.7 mt -97.9 129.13 48.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.285 0.564 . . . . 0.85999999999999999 112.439 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.4 OUTLIER -127.83 122.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 107.966 -1.124 . . . . 0.98999999999999999 107.966 177.191 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.52 109.38 19.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 112.226 0.454 . . . . 0.5 112.226 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 m -91.49 -20.3 21.88 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.848 -0.797 . . . . 0.93999999999999995 108.848 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.474 ' HB2' ' C ' ' A' ' 39' ' ' ASP . 5.6 t -62.29 132.67 53.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.147 -0.933 . . . . 1.3100000000000001 110.096 179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -35.68 63.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.38 0.425 . . . . 1.1200000000000001 111.995 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.449 ' CG ' H143 ' A' ' 103' ' ' ACO . 63.2 t80 -80.64 -54.99 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.279 . . . . 0.94999999999999996 111.132 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 75' ' ' CYS . . . -57.11 -38.11 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.295 -0.412 . . . . 0.5 111.847 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -60.18 -52.38 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 1.27 110.315 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.69 -32.2 73.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.294 -0.412 . . . . 1.21 110.989 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 64.3 mmm -62.23 -57.44 11.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.007 0.432 . . . . 1.51 111.011 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD13 ' CD1' ' A' ' 92' ' ' TYR . 4.8 mt -71.46 -16.82 62.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.952 -0.567 . . . . 0.57999999999999996 110.811 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -73.49 -36.18 65.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.617 -0.719 . . . . 1.46 109.23 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.4 tttm -82.19 -44.59 16.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.235 -0.893 . . . . 2.3300000000000001 109.572 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 90.0 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.725 -0.67 . . . . 1.6000000000000001 111.237 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.86 -31.49 72.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.461 -0.791 . . . . 2.6600000000000001 110.825 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -22.43 66.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.818 -0.628 . . . . 1.46 111.825 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -92.25 -5.44 52.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.666 0.269 . . . . 1.0 111.197 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -80.08 17.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.102 0.477 . . . . 2.4199999999999999 111.613 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.72 -32.04 20.67 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.696 -0.853 . . . . 2.4399999999999999 108.696 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.7 m -116.96 -20.09 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.54 -0.754 . . . . 0.87 109.849 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CD1' HD13 ' A' ' 82' ' ' LEU . 41.8 t80 -87.94 135.76 33.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.924 -0.58 . . . . 1.1399999999999999 109.617 178.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.7 mt -80.66 83.39 6.44 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.253 0.549 . . . . 1.4199999999999999 110.918 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -132.19 19.34 4.61 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.474 -0.785 . . . . 3.6400000000000001 111.481 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.96 34.25 5.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.535 0.683 . . . . 6.5 109.343 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -55.57 -63.06 1.29 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.063 -0.971 . . . . 5.1500000000000004 111.932 -178.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.523 ' H ' ' CD ' ' A' ' 96' ' ' GLU . 24.9 p80 -175.0 -37.75 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.445 0.535 . . . . 5.8799999999999999 112.445 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -80.19 -43.55 21.34 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.554 -0.459 . . . . 6.29 111.662 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 m80 59.54 173.77 0.08 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.28 0.562 . . . . 10.4 112.409 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 60.93 -88.39 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.406 -0.815 . . . . 10.369999999999999 112.666 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -158.02 -55.34 0.07 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.614 0.245 . . . . 9.4900000000000002 110.829 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.532 -0.747 . . . . 12.66 110.233 179.718 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.631 H131 ' N8P' ' A' ' 103' ' ' ACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.943 -0.392 . . . . 6.9500000000000002 109.943 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -76.56 76.21 3.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.31 0.576 . . . . 6.4699999999999998 110.996 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.62 -176.18 3.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.74 -0.664 . . . . 3.3500000000000001 109.833 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.3 tp 58.76 36.6 24.91 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.499 0.666 . . . . 2.4900000000000002 110.253 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -90.2 168.57 11.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.431 -0.804 . . . . 2.9100000000000001 110.79 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 59' ' ' ALA . 36.5 mt -72.79 101.45 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.707 179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -86.73 119.99 27.55 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.939 -0.393 . . . . 2.23 109.939 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.8 150.42 47.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 2.52 110.925 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.89 -172.97 17.7 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.324 -0.853 . . . . 1.04 111.112 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -67.47 96.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.9 0.381 . . . . 3.1899999999999999 110.761 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.45 32.34 20.54 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.883 -0.598 . . . . 1.3799999999999999 111.0 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 27' ' ' THR . 45.9 pttt -161.96 173.74 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.363 0.602 . . . . 0.93999999999999995 111.946 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -133.04 130.49 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.98 -1.009 . . . . 0.68999999999999995 108.34 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -137.18 159.85 40.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.393 0.616 . . . . 1.1599999999999999 111.76 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.0 mt -130.98 120.93 48.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.358 -0.837 . . . . 0.92000000000000004 109.713 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.57 176.9 28.26 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.664 -0.575 . . . . 1.52 111.664 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.07 -57.85 6.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.894 0.378 . . . . 2.6200000000000001 110.632 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -135.57 166.31 23.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.754 -0.657 . . . . 1.6000000000000001 109.66 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.67 -23.95 65.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 2.7200000000000002 110.49 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.52 -22.23 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.347 0.594 . . . . 2.9199999999999999 109.907 179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -137.11 63.39 1.56 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.682 -0.69 . . . . 2.4500000000000002 109.793 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.77 144.98 25.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.609 -0.723 . . . . 1.1899999999999999 110.418 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.9 mt -87.48 -22.96 24.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.016 -0.538 . . . . 1.3899999999999999 110.135 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -169.71 145.7 3.12 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.775 -0.648 . . . . 0.77000000000000002 111.085 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -157.13 137.32 12.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.18 0.514 . . . . 1.3300000000000001 110.635 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.1 tt -122.85 132.33 71.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.645 -0.707 . . . . 0.40999999999999998 109.479 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 12' ' ' LYS . 20.6 p -113.58 141.76 46.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.727 0.299 . . . . 0.59999999999999998 110.988 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -133.42 149.44 51.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.55 -0.537 . . . . 0.76000000000000001 109.55 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -136.48 159.67 41.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.927 0.394 . . . . 3.6299999999999999 110.749 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -97.31 109.2 22.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.005 -0.543 . . . . 0.82999999999999996 110.322 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -77.87 -32.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.945 0.402 . . . . 0.83999999999999997 111.176 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -135.69 -84.04 0.39 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 1.74 110.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -152.51 -57.64 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.137 0.494 . . . . 2.7200000000000002 110.521 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.97 17.26 23.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.838 -0.619 . . . . 1.8400000000000001 110.361 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -127.77 126.39 41.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.514 . . . . 2.25 109.807 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.3 pt -120.56 135.09 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.186 0.517 . . . . 0.53000000000000003 110.462 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 4.0 p-10 -113.34 140.79 47.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 1.8200000000000001 110.598 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -83.64 113.31 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.569 . . . . 0.68999999999999995 109.534 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.37 -56.73 12.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 2.4700000000000002 110.398 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.669 ' HA ' ' SG ' ' A' ' 75' ' ' CYS . 8.1 p-80 -156.59 160.31 39.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 2.1200000000000001 111.496 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -134.33 96.82 3.68 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.426 -0.806 . . . . 0.72999999999999998 109.458 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -103.25 116.17 5.37 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.624 -0.798 . . . . 0.69999999999999996 112.707 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.79 ' HB ' H142 ' A' ' 103' ' ' ACO . 59.9 t -126.87 136.85 59.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.151 -0.314 . . . . 0.93000000000000005 110.151 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -79.26 95.45 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.679 0.752 . . . . 1.8300000000000001 109.668 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.95 -20.08 59.84 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.963 -1.017 . . . . 3.1200000000000001 111.241 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.8 66.32 3.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 3.7999999999999998 111.375 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.7 mt 55.59 35.19 24.69 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.768 -0.651 . . . . 4.4699999999999998 111.827 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.21 -67.38 0.7 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.556 -0.83 . . . . 3.8599999999999999 111.617 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.57 98.18 0.4 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 121.074 -0.584 . . . . 3.0499999999999998 111.812 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -98.79 125.76 44.24 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.673 -0.31 . . . . 3.4399999999999999 110.573 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.31 -26.51 15.1 Favored Glycine 0 CA--C 1.517 0.219 0 C-N-CA 121.119 -0.562 . . . . 1.1100000000000001 112.672 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.81 -25.63 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.888 0.329 . . . . 1.1399999999999999 111.888 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.97 -39.11 96.57 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.895 -0.669 . . . . 0.58999999999999997 111.782 179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -75.74 -36.89 59.78 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 120.93 0.395 . . . . 2.02 110.05 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.91 -44.8 95.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.697 -0.683 . . . . 2.5699999999999998 111.174 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 56' ' ' LEU . 19.6 mt -67.09 -44.25 80.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.85999999999999999 111.405 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD22 ' SD ' ' A' ' 81' ' ' MET . 34.8 tp -62.61 -37.48 86.42 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.693 -0.484 . . . . 1.29 109.693 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -63.63 -36.31 83.39 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.784 -0.644 . . . . 1.3899999999999999 110.669 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB2' HD13 ' A' ' 6' ' ' ILE . . . -59.77 -43.15 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.54 . . . . 0.56000000000000005 110.311 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.1 t -69.89 -47.87 66.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.621 -0.718 . . . . 0.44 110.528 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.24 -42.82 94.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.53000000000000003 111.473 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 2.0 tt0 -61.29 -47.04 87.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.76 110.11 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.409 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 10.3 t60 -63.41 -33.14 74.89 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.06 -0.518 . . . . 1.04 109.679 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.473 ' HB2' HD11 ' A' ' 71' ' ' ILE . . . -68.42 -35.93 78.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.594 -0.73 . . . . 0.84999999999999998 110.097 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -66.56 -41.14 89.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.585 -0.524 . . . . 3.1200000000000001 109.585 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 35.2 mt-10 -60.93 -55.77 29.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.924 -0.58 . . . . 1.8200000000000001 111.171 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.02 -1.67 53.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 1.3999999999999999 112.443 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 59.44 39.75 21.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.048 0.451 . . . . 2.1800000000000002 110.638 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 mt -83.53 159.99 21.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.152 -0.476 . . . . 0.78000000000000003 111.047 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -91.98 138.86 31.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.009 -0.738 . . . . 3.0499999999999998 109.009 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 64' ' ' ALA . 30.5 mm -107.61 130.14 60.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.548 . . . . 0.85999999999999999 112.358 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -143.31 158.08 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.034 -1.098 . . . . 0.98999999999999999 108.034 177.381 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.46 143.34 35.49 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.958 -0.464 . . . . 0.5 111.936 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 m -85.55 -40.26 16.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.779 -0.646 . . . . 0.93999999999999995 110.16 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.669 ' SG ' ' HA ' ' A' ' 40' ' ' HIS . 85.0 m -74.35 129.83 38.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.046 -0.524 . . . . 1.3100000000000001 110.972 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 -32.86 69.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.062 -0.517 . . . . 1.1200000000000001 111.224 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' CZ ' H143 ' A' ' 103' ' ' ACO . 63.9 t80 -60.83 -59.67 5.01 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 120.726 0.298 . . . . 0.94999999999999996 110.447 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.89 85.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.5 110.759 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 34.5 tttm -61.74 -50.17 73.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 1.27 110.107 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -63.19 -31.57 72.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.027 -0.533 . . . . 1.21 110.04 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.405 ' SD ' HD22 ' A' ' 57' ' ' LEU . 25.9 ttt -66.36 -41.81 88.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.51 110.071 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.61 -31.38 70.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.742 -0.663 . . . . 0.57999999999999996 110.417 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 79' ' ' LYS . 41.8 mt-10 -78.71 -31.74 46.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.656 . . . . 1.46 110.812 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -73.64 -48.04 35.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.291 -0.413 . . . . 2.3300000000000001 110.087 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.52 92.32 8.82 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.174 -0.676 . . . . 1.6000000000000001 109.174 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.56 -9.64 4.05 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.579 -0.737 . . . . 2.6600000000000001 112.09 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 m -63.89 -22.27 66.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.792 0.33 . . . . 1.46 110.973 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -99.85 0.59 41.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.683 0.278 . . . . 1.0 110.715 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -64.21 -15.92 60.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 2.4199999999999999 111.882 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -67.77 -37.45 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 2.4399999999999999 110.579 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.3 m -104.11 -26.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.87 111.269 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -76.01 147.06 39.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.678 -0.49 . . . . 1.1399999999999999 109.678 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.7 mt -76.82 67.52 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 1.4199999999999999 110.793 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -83.37 4.31 81.84 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.938 -0.573 . . . . 3.6400000000000001 112.289 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -30.24 65.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.077 0.465 . . . . 6.5 110.339 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -101.77 121.38 41.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.971 -0.559 . . . . 5.1500000000000004 110.189 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -155.03 39.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.929 -0.578 . . . . 5.8799999999999999 110.116 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -61.16 123.43 17.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 6.29 110.566 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.4 t60 62.68 70.61 0.55 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.796 0.685 . . . . 10.4 110.909 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -100.99 82.54 2.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.676 -0.693 . . . . 10.369999999999999 109.814 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -141.23 99.54 3.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.962 -0.563 . . . . 9.4900000000000002 110.902 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.554 -0.736 . . . . 12.66 109.725 179.592 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.79 H142 ' HB ' ' A' ' 43' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.721 0.296 . . . . 6.9500000000000002 110.321 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -85.61 58.55 5.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.33 0.586 . . . . 6.4699999999999998 110.356 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -116.16 152.82 32.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.638 -0.71 . . . . 3.3500000000000001 110.634 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.82 -104.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.181 -0.463 . . . . 2.4900000000000002 110.133 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 66.22 133.88 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.781 0.676 . . . . 2.9100000000000001 111.63 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 53.1 mt -80.39 99.2 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.144 0.497 . . . . 1.0 109.804 178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -89.19 138.66 31.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.882 -0.599 . . . . 2.23 109.627 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -112.49 135.5 53.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.039 0.447 . . . . 2.52 110.267 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.4 151.42 12.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.843 -0.617 . . . . 1.04 111.729 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 41.99 43.46 2.69 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.047 0.939 . . . . 3.1899999999999999 112.75 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 54.3 m-80 58.55 47.28 13.58 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.303 0.573 . . . . 1.3799999999999999 110.486 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.561 ' HB2' HG22 ' A' ' 27' ' ' THR . 19.2 ttpt -154.1 132.76 12.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.609 -0.723 . . . . 0.93999999999999995 111.302 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -103.33 118.71 37.38 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.512 -1.292 . . . . 0.68999999999999995 107.512 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -134.26 146.05 49.69 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.308 0.575 . . . . 1.1599999999999999 112.26 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.41 HD12 HG12 ' A' ' 52' ' ' VAL . 17.7 mt -110.63 119.64 59.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.115 -0.948 . . . . 0.92000000000000004 109.423 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.49 165.79 26.47 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.675 -0.774 . . . . 1.52 112.093 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -75.65 -32.27 60.13 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 2.6200000000000001 110.548 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 1.2 t70 -136.89 151.65 49.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.829 -0.623 . . . . 1.6000000000000001 110.266 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.7 -48.47 66.58 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.536 0.569 . . . . 2.7200000000000002 112.536 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -74.01 -26.08 60.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.288 0.566 . . . . 2.9199999999999999 110.559 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 22.9 m-80 -94.73 29.98 2.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.624 -0.716 . . . . 2.4500000000000002 110.78 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.1 115.82 8.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.001 -0.545 . . . . 1.1899999999999999 110.163 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.0 mt -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.079 -0.51 . . . . 1.3899999999999999 109.945 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 42' ' ' GLY . . . -152.03 136.14 16.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.902 -0.59 . . . . 0.77000000000000002 110.185 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -147.47 145.61 29.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.194 0.521 . . . . 1.3300000000000001 111.275 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.4 tt -130.05 131.4 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.46 -0.941 . . . . 0.40999999999999998 108.46 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.561 HG22 ' HB2' ' A' ' 12' ' ' LYS . 14.0 p -112.71 140.92 47.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.794 0.33 . . . . 0.59999999999999998 111.695 -178.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' HB3' ' A' ' 11' ' ' ASN . 39.6 p90 -145.18 147.39 32.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.154 -0.475 . . . . 0.76000000000000001 109.719 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 29' ' ' ARG . 48.3 mtm180 -129.12 144.28 51.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.716 0.293 . . . . 3.6299999999999999 111.042 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -82.01 92.95 6.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.837 -0.62 . . . . 0.82999999999999996 109.419 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -79.32 -31.49 14.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.916 -0.584 . . . . 0.83999999999999997 111.915 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -148.11 47.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.868 -0.333 . . . . 1.74 111.283 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 60.7 -79.68 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.228 0.611 . . . . 2.7200000000000002 112.08 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 5.5 m120 -82.22 28.59 0.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.122 0.487 . . . . 1.8400000000000001 111.253 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -151.87 120.24 6.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.887 -0.597 . . . . 2.25 109.646 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.1 pt -116.33 134.07 60.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.24 0.543 . . . . 0.53000000000000003 111.005 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 6.3 t30 -103.95 120.39 40.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.618 -0.719 . . . . 1.8200000000000001 110.53 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.3 mt -81.01 119.63 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.293 -0.632 . . . . 0.68999999999999995 109.293 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.55 -63.8 1.26 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.581 -0.736 . . . . 2.4700000000000002 111.867 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -144.66 165.85 26.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 2.1200000000000001 112.176 -178.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -137.98 107.09 6.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.977 -1.01 . . . . 0.72999999999999998 109.077 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' O ' ' HA ' ' A' ' 24' ' ' ALA . . . -113.62 123.34 6.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.548 -0.834 . . . . 0.69999999999999996 112.236 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.59 133.69 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.655 0.264 . . . . 0.93000000000000005 110.491 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -94.69 117.44 30.14 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.271 -0.422 . . . . 1.8300000000000001 110.241 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -136.11 110.78 8.65 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.907 -0.588 . . . . 3.1200000000000001 110.363 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.01 15.05 17.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.45 0.643 . . . . 3.7999999999999998 109.613 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.4 mt -114.3 -45.43 3.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.536 -0.756 . . . . 4.4699999999999998 110.449 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.7 58.38 0.6 Allowed Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.838 -0.619 . . . . 3.8599999999999999 111.728 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 155.05 25.59 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.569 -0.824 . . . . 3.0499999999999998 112.876 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -86.3 93.09 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.75 -0.463 . . . . 3.4399999999999999 109.75 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.38 45.76 2.9 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.951 -0.642 . . . . 1.1100000000000001 113.016 -179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 52' ' ' VAL . 1.4 t -69.88 -38.06 74.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.955 0.407 . . . . 1.1399999999999999 110.043 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.89 -28.82 73.28 Favored Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.769 -0.65 . . . . 0.58999999999999997 112.097 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HE2' ' O7A' ' A' ' 103' ' ' ACO . 9.6 mttm -66.55 -37.49 85.09 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.028 -0.36 . . . . 2.02 110.028 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.42 -40.66 81.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.119 0.485 . . . . 2.5699999999999998 110.193 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.07 -49.99 72.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 0.85999999999999999 110.662 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.7 tp -63.9 -33.68 76.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 1.29 110.329 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -47.67 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 1.3899999999999999 109.876 179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.0 96.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.957 -0.565 . . . . 0.56000000000000005 110.575 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.41 -52.9 55.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.951 -0.568 . . . . 0.44 110.843 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG11 ' CD1' ' A' ' 88' ' ' TYR . 69.2 t -61.36 -45.19 99.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.204 -0.453 . . . . 0.53000000000000003 110.746 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 30.0 tt0 -58.46 -52.57 65.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.004 -0.544 . . . . 1.76 110.818 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.35 -40.72 97.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.001 -0.545 . . . . 1.04 110.8 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -48.34 79.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.84999999999999998 110.803 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -61.03 -36.83 80.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.336 -0.393 . . . . 3.1200000000000001 111.171 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 38.7 mt-10 -65.53 -29.11 69.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 1.8200000000000001 111.513 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -107.46 13.1 27.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 1.3999999999999999 111.619 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 55.48 38.17 29.88 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.381 0.61 . . . . 2.1800000000000002 111.238 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 34' ' ' ASN . 31.6 mt -92.0 143.57 26.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.015 -0.539 . . . . 0.78000000000000003 109.911 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.782 ' HB3' HD22 ' A' ' 93' ' ' LEU . 26.4 mtmt -94.18 146.59 23.89 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.19 -0.67 . . . . 3.0499999999999998 109.19 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -116.24 125.75 73.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 112.85 0.685 . . . . 0.85999999999999999 112.85 -178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.511 HG23 HD21 ' A' ' 93' ' ' LEU . 1.2 pt -126.63 104.81 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.959 -1.019 . . . . 0.98999999999999999 109.035 177.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.45 130.23 39.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.811 0.339 . . . . 0.5 111.594 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 m -87.26 -21.07 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.215 0.531 . . . . 0.93999999999999995 110.13 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.541 ' HB3' HH31 ' A' ' 103' ' ' ACO . 0.0 OUTLIER -79.04 127.5 32.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 1.3100000000000001 109.682 179.297 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.71 -38.28 72.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 1.1200000000000001 111.815 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.14 -55.78 16.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.94999999999999996 111.158 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.71 93.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.5 111.311 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -62.47 -41.49 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 1.27 110.225 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.64 -32.9 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 1.21 110.542 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 84.1 mtp -68.99 -37.99 79.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 1.51 110.298 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.47 -43.27 85.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.759 -0.655 . . . . 0.57999999999999996 111.621 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -76.63 -26.34 54.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.46 -0.336 . . . . 1.46 111.239 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -69.17 -34.29 74.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.418 -0.356 . . . . 2.3300000000000001 111.247 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -96.45 119.33 34.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.052 0.454 . . . . 1.6000000000000001 111.004 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -56.76 -37.87 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.565 -0.743 . . . . 2.6600000000000001 111.32 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -69.7 -25.53 63.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.142 -0.481 . . . . 1.46 111.75 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.497 ' CD1' HG11 ' A' ' 61' ' ' VAL . 11.9 m-30 -84.92 -18.11 35.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.42 . . . . 1.0 110.498 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.31 -10.14 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 2.4199999999999999 111.332 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.63 -41.23 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.1 0.476 . . . . 2.4399999999999999 110.504 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.6 m -98.47 -25.93 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.87 110.936 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -76.16 130.32 38.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 1.1399999999999999 110.359 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.782 HD22 ' HB3' ' A' ' 70' ' ' LYS . 1.8 pt? -123.24 -35.87 2.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.102 -0.499 . . . . 1.4199999999999999 110.355 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 64.64 -122.17 24.02 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.09 -0.576 . . . . 3.6400000000000001 112.464 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.74 131.13 52.56 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.959 0.409 . . . . 6.5 110.489 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -68.43 -41.58 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.729 -0.669 . . . . 5.1500000000000004 110.689 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -133.71 148.21 51.43 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.485 -0.78 . . . . 5.8799999999999999 109.303 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -58.61 110.99 1.1 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 6.29 110.166 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -109.32 143.49 38.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.301 -0.408 . . . . 10.4 110.908 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -81.32 136.03 35.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.088 -0.708 . . . . 10.369999999999999 109.088 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -64.97 161.91 17.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 9.4900000000000002 111.285 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.707 -0.663 . . . . 12.66 110.343 -179.654 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ACO . . . . . 0.541 HH31 ' HB3' ' A' ' 75' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_