data_2n00_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 2n00 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.79 -29.55 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.081 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.427 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 47.7 t -60.87 -34.46 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.11 -29.93 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -72.7 -35.37 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.476 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 19.0 ptt180 -82.07 -45.12 15.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.57 -52.53 63.04 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.68 -49.47 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 62' ' ' VAL . 9.8 tt -56.15 -33.54 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.585 HD12 HD21 ' A' ' 52' ' ' LEU . 87.0 mt -77.68 -58.44 3.26 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 4.0 pp -54.23 -24.43 18.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.836 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.429 HG23 HD11 ' A' ' 81' ' ' LEU . 83.5 m -60.1 -32.51 71.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -41.47 4.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.776 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 HD11 HD12 ' A' ' 17' ' ' ILE . 4.1 mm? -59.1 -35.99 74.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 111.196 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.34 -4.39 55.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.691 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -115.16 -6.38 12.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.462 HD12 HD11 ' A' ' 14' ' ' LEU . 48.8 pt -106.15 159.74 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -88.49 169.87 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.4 -35.47 77.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.76 -45.8 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.075 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.72 -28.58 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD22 ' HE3' ' A' ' 26' ' ' LYS . 9.7 tt -56.23 -40.75 74.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.12 -29.74 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.386 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -72.44 -42.54 64.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.431 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.86 -51.58 69.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.332 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HZ1' HD23 ' A' ' 48' ' ' LEU . 4.1 mptp? -60.56 -41.69 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.456 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.53 -27.16 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.744 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.74 -56.84 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.458 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -72.54 -52.65 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 0.0 111.606 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -98.35 92.28 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -90.41 -49.87 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.715 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.07 -1.11 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.767 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.625 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 70.6 m-85 -92.63 -24.85 18.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.244 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 41.88 68.27 0.48 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.833 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.1 mt -57.07 137.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.929 0.395 . . . . 0.0 111.036 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 129.33 41.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.125 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -67.67 -29.64 68.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.475 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -70.48 -39.45 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.559 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -67.56 -17.5 64.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.996 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.534 HD22 ' HE3' ' A' ' 26' ' ' LYS . 97.6 mt -47.06 -24.23 0.61 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.84 -56.38 21.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.41 14.16 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -59.37 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.468 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -58.15 -53.93 52.65 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.262 -178.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -81.58 -61.4 1.94 Allowed 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.1 p -82.85 -57.14 3.43 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -66.0 -60.18 3.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -174.064 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.589 HD23 ' HZ1' ' A' ' 26' ' ' LYS . 19.8 mt -58.78 -39.98 82.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.85 -56.31 22.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.528 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.0 m-20 -69.44 -34.64 74.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.27 -58.56 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.585 HD21 HD12 ' A' ' 10' ' ' LEU . 3.1 pp -55.75 -32.55 63.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.5 mt -56.25 -36.39 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 111.448 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -73.13 -27.52 61.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.626 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -72.68 -58.9 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.34 -35.47 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.03 -178.36 25.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.15 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.33 -69.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 111.524 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.84 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.086 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -55.19 -45.64 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -69.71 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.515 HG11 HD21 ' A' ' 9' ' ' LEU . 65.7 t -58.13 -30.95 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 111.229 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.9 m -64.09 -55.02 25.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -71.32 -25.23 62.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.69 -30.59 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 82' ' ' GLU . 42.8 mm -68.25 -48.28 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.475 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -58.64 -38.11 77.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.761 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.82 -51.78 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.895 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.32 -42.73 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.167 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.7 pt20 -63.55 -54.03 42.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.927 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.8 mttp -67.54 -7.73 28.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -106.05 -41.39 5.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -125.17 -51.11 1.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -137.85 63.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.654 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.0 ptp -51.05 -19.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.767 0.317 . . . . 0.0 111.025 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -80.66 -48.61 12.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.67 -44.41 86.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.972 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.69 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -53.0 -32.77 48.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.0 66.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.463 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.429 HD11 HG23 ' A' ' 12' ' ' THR . 4.1 mm? -72.45 -45.97 57.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.938 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.488 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.9 pt-20 -55.54 -26.12 41.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.485 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.21 -33.22 72.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.6 ' HB2' ' HZ1' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -63.88 -29.79 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -52.19 -34.94 47.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.038 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -54.34 -54.36 41.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -28.9 69.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.467 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -52.57 -53.01 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.411 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -70.97 -19.45 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.344 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 30.3 mtpp -73.33 -15.43 61.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.832 0.348 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.88 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.081 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.607 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.3 m -62.93 -35.93 81.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.58 -30.34 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -73.35 -35.08 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.465 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.607 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 15.9 ptt180 -80.79 -44.22 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.775 0.321 . . . . 0.0 111.441 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 40.4 tt0 -62.88 -51.52 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.69 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.34 -49.68 68.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 HG12 ' A' ' 62' ' ' VAL . 10.1 tt -56.06 -43.56 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.624 HD13 HD23 ' A' ' 52' ' ' LEU . 85.4 mt -68.81 -61.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.86 -23.86 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.05 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.6 m -55.13 -32.5 62.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 111.301 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.62 -35.22 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.135 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.24 -52.72 60.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.317 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.38 10.83 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.515 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -128.95 30.57 5.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.698 0.285 . . . . 0.0 111.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -140.08 154.76 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.992 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -64.78 168.6 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.292 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.43 -41.16 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.18 -42.68 99.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -75.32 -28.4 59.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.43 -44.49 80.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.71 -30.05 51.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.48 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -56.38 -54.36 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.554 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' NZ ' ' HG ' ' A' ' 48' ' ' LEU . 60.7 mttm -58.79 -30.34 67.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -72.68 -34.67 67.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.412 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -78.9 -52.22 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.512 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -63.19 -52.6 61.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HG ' ' HB ' ' A' ' 35' ' ' ILE . 1.8 mm? -98.03 91.12 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -90.9 -50.3 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -96.34 -15.95 21.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.9 m-85 -78.95 -23.82 44.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.368 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 44.77 64.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.525 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 18.3 tt -66.08 135.62 28.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.708 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB1' HG23 ' A' ' 39' ' ' THR . . . -61.41 123.09 16.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.698 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.77 -24.35 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.143 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.8 p -64.05 -28.83 70.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.509 HG23 ' HB1' ' A' ' 36' ' ' ALA . 67.6 p -59.74 -18.02 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.706 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.83 -18.93 0.32 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.9 -42.29 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 m -142.63 14.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.46 -38.69 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.93 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.07 -55.06 39.63 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.293 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 12.6 ptm180 -81.46 -62.22 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.1 p -84.16 -58.63 2.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 -175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -70.08 -59.98 2.57 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -59.9 -34.76 73.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.59 -54.93 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' HA ' HD13 ' A' ' 53' ' ' ILE . 15.4 t70 -68.85 -34.9 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.52 -56.69 18.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 HD13 ' A' ' 10' ' ' LEU . 3.3 pp -54.56 -32.23 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 52' ' ' LEU . 86.2 mt -60.17 -31.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.065 0.459 . . . . 0.0 110.923 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -73.17 -27.26 61.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.06 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.4 p -80.76 -57.01 3.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.734 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.73 -35.41 3.22 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.12 -179.07 18.71 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.528 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.62 -70.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.87 73.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -67.34 -51.57 50.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -71.68 -44.02 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.568 HG12 HD22 ' A' ' 9' ' ' LEU . 76.9 t -58.89 -32.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 p -73.57 -50.55 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.292 . . . . 0.0 111.575 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.94 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.211 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.95 69.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.509 HG22 ' HB3' ' A' ' 82' ' ' GLU . 35.1 mm -65.02 -44.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.385 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.43 -38.19 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.789 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 50.1 mt -75.7 -52.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 111.7 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.98 -37.35 71.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.221 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.651 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -68.87 -55.31 11.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.973 0.416 . . . . 0.0 111.46 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 96.8 mttt -67.15 -7.61 24.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -108.44 -40.73 5.04 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.33 -50.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.491 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 39.9 m-85 -137.01 63.01 1.58 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.651 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 46.5 ttm -51.82 -21.17 2.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -81.14 -51.48 8.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.674 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.491 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 63.3 mt -65.38 -48.13 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.8 43.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.788 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -55.72 -39.23 70.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.33 66.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.382 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.473 HD21 ' HG ' ' A' ' 9' ' ' LEU . 59.4 tp -72.13 -43.46 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.982 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 66' ' ' ILE . 10.4 pt-20 -59.31 -25.83 64.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.384 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.587 ' HB3' ' HZ2' ' A' ' 84' ' ' LYS . 5.6 ttpm? -59.74 -28.25 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -50.65 -34.57 26.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.788 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -53.06 -38.07 62.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.766 0.317 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.62 -29.49 51.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.44 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.519 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -53.11 -55.1 26.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -69.54 -28.81 66.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -63.05 -23.6 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 179.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.81 71.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.786 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.415 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 53.4 m -59.32 -35.41 73.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.5 -30.13 61.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -68.53 -39.01 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.559 ' HD2' HD13 ' A' ' 53' ' ' ILE . 27.8 ptt180 -82.13 -33.39 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.52 -48.7 47.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.482 ' HA ' HD23 ' A' ' 11' ' ' LEU . 50.9 tpp -68.92 -49.5 57.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.847 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.37 -37.19 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.69 -52.72 9.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -61.87 -23.49 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.767 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.443 ' N ' HD22 ' A' ' 11' ' ' LEU . 54.9 m -54.98 -35.91 64.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.83 -37.77 4.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.199 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.58 HD11 ' HZ2' ' A' ' 26' ' ' LYS . 4.5 mm? -57.58 -45.17 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.81 0.305 . . . . 0.0 111.366 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.04 10.39 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.49 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -123.56 -18.98 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 22' ' ' LEU . 41.1 pt -93.97 159.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.317 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 p -78.15 169.36 18.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.293 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.51 -40.13 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.46 -44.66 93.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.777 0.323 . . . . 0.0 111.056 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.4 -28.3 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 40' ' ' LEU . 9.5 tt -55.56 -48.27 75.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.13 -32.72 73.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.143 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.64 -55.85 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HZ2' HD11 ' A' ' 14' ' ' LEU . 1.3 mppt? -60.7 -31.55 70.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -68.61 -33.75 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.9 -55.53 4.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.705 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -70.84 -51.81 24.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.789 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.7 mm? -96.94 90.78 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.7 p -91.48 -49.58 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.8 -10.25 29.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.604 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 77.4 m-85 -84.02 -25.49 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.101 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 41.09 68.41 0.43 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.104 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.409 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 20.8 mt -65.68 136.46 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 132.5 53.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.92 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -67.18 -20.32 65.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.443 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -73.16 -33.15 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.482 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.506 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 72.5 p -71.02 -17.85 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.748 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 22' ' ' LEU . 85.9 mt -50.74 -17.64 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.017 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.26 -47.94 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -122.96 13.98 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.85 -30.32 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.426 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.539 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.5 p-10 -58.42 -54.61 45.09 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.519 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -81.0 -61.31 2.0 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.44 HG21 ' H ' ' A' ' 47' ' ' GLU . 2.6 t -82.29 -56.4 3.93 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -69.69 -60.47 2.29 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -174.266 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' A' ' 26' ' ' LYS . 42.4 mt -60.48 -51.32 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -52.36 -54.29 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.026 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.7 t70 -68.2 -34.94 77.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 33' ' ' PHE . 36.1 t60 -66.1 -56.91 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 HD13 ' N ' ' A' ' 53' ' ' ILE . 2.6 pp -50.46 -32.41 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.559 HD13 ' HD2' ' A' ' 6' ' ' ARG . 81.2 mt -55.99 -39.22 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.77 -27.28 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.576 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -68.25 -58.33 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.19 2.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.775 0.321 . . . . 0.0 111.687 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.79 -176.91 24.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.031 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -68.19 -69.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.14 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.858 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -66.21 -47.43 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.87 -46.25 58.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.99 -32.55 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 p -72.16 -55.17 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -23.17 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.397 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.84 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.7 mm -63.49 -43.76 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.475 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.93 -36.72 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.985 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -73.63 -51.21 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.682 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.81 -40.77 96.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.647 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -66.21 -58.82 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 40.0 ttmt -64.52 -7.68 11.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -99.15 -41.18 7.63 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -124.68 -51.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.457 ' HB3' HG22 ' A' ' 77' ' ' ILE . 90.8 m-85 -138.7 62.91 1.54 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.647 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.8 ptp -52.15 -12.07 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -80.91 -51.99 7.96 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.457 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.2 tt -71.89 -47.17 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.18 -30.93 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.507 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 50.0 t30 -52.98 -45.87 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -32.33 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.607 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.417 HD11 HG22 ' A' ' 12' ' ' THR . 57.7 tp -60.33 -34.93 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 8.1 pt-20 -58.02 -26.11 62.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -32.78 68.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.679 0.275 . . . . 0.0 111.227 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -53.08 -30.18 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.436 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.94 -34.87 66.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.111 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -54.87 -44.96 74.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.9 tp10 -76.72 -28.67 55.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.85 68.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.938 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.66 -46.34 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.8 ptt180 -73.2 -21.17 60.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.63 -13.15 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.94 -34.12 76.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.54 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 47.8 t -61.55 -40.56 95.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.37 -29.81 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.11 -35.79 71.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.323 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.54 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 30.5 ptt85 -82.1 -47.04 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 111.558 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' A' ' 45' ' ' ARG . 44.4 tt0 -61.9 -50.03 73.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.897 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.26 -49.48 69.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.81 -32.24 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 6' ' ' ARG . 3.9 mm? -80.73 -54.39 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -58.94 -27.36 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 p -63.65 -8.85 11.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.34 -37.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.573 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.78 -44.97 69.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.19 10.4 5.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.753 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -115.81 -26.5 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.621 0.248 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.55 HD11 HD22 ' A' ' 22' ' ' LEU . 38.6 pt -92.15 165.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -75.62 165.32 25.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.588 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' HA ' HD11 ' A' ' 22' ' ' LEU . 13.0 mm-40 -59.7 -44.18 93.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.65 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -35.64 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.439 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 50.1 mt-10 -76.56 -27.93 56.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.237 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 17' ' ' ILE . 76.6 mt -53.36 -49.1 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.554 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -69.38 -31.06 69.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 50.9 mtp180 -60.14 -47.03 87.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -71.77 -42.93 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HZ3' HG22 ' A' ' 35' ' ' ILE . 3.5 tppp? -59.39 -38.25 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -71.96 -29.14 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.328 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.07 -54.74 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.3 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB3' HD21 ' A' ' 30' ' ' LEU . . . -66.63 -51.28 57.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.227 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.1 mm? -96.9 91.42 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -90.68 -46.07 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.233 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -94.84 -16.99 22.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.296 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.547 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.3 m-85 -83.07 -25.18 32.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.581 0.229 . . . . 0.0 111.03 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 41.36 67.99 0.49 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.048 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.419 HG22 ' HZ3' ' A' ' 26' ' ' LYS . 25.6 mt -67.67 131.91 32.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 110.574 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.0 139.77 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.722 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -61.85 -28.68 69.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 47' ' ' GLU . 29.1 m -57.92 -20.65 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.36 -10.83 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.802 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.73 -39.05 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 m -143.71 13.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.635 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -51.43 -37.68 49.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.366 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.4 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.4 p-10 -57.38 -54.1 50.61 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 28.9 ptt180 -81.07 -62.89 1.53 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.9 t -84.09 -58.05 2.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 117.639 2.459 . . . . 0.0 117.639 -175.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.635 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 7.3 mm-40 -70.51 -60.18 2.42 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 -173.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -58.4 -41.57 85.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.976 0.353 . . . . 0.0 111.72 -178.298 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.04 -54.72 42.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.2 t70 -68.16 -36.35 79.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.29 -57.62 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.7 pp -52.6 -32.06 39.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.513 ' N ' HD13 ' A' ' 52' ' ' LEU . 82.4 mt -56.12 -37.8 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.758 0.313 . . . . 0.0 111.411 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -74.64 -27.23 60.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.418 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -65.63 -57.45 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.723 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.63 2.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . . . 150.89 -179.69 27.38 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.121 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 -70.21 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 111.307 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.75 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.988 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -63.51 -55.7 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -65.37 -47.32 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.35 -32.46 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 p -77.98 -51.73 9.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 15.1 pttp -61.47 -25.5 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.05 49.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.501 HG23 ' HB3' ' A' ' 82' ' ' GLU . 41.7 mm -70.06 -40.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.184 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -59.32 -40.45 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.521 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 62.5 mt -76.34 -51.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.741 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.79 -31.84 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -70.28 -58.03 4.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 27.1 ttpp -67.44 -7.81 28.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.1 mm? -104.16 -40.94 5.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -177.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -124.73 -51.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.442 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 25.9 m-85 -138.04 63.15 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.654 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.0 ptm -51.22 -19.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.63 0.253 . . . . 0.0 111.109 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -81.3 -51.47 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.516 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 72.5 mt -64.36 -46.03 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.855 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' A' ' 66' ' ' ILE . . . -53.64 -30.69 44.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.81 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.8 m120 -56.41 -43.09 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.875 0.369 . . . . 0.0 111.227 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.18 65.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.46 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.46 -43.98 65.63 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.501 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.4 pt-20 -56.07 -25.38 44.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.65 0.262 . . . . 0.0 111.28 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -56.81 -33.2 66.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.17 -30.03 61.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -53.49 -36.7 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -59.56 -37.23 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -76.4 -28.94 56.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.39 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.75 -54.96 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.671 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -69.07 -23.08 63.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.496 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -74.43 -42.81 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.692 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -30.01 71.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.531 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.1 m -61.25 -33.93 74.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.18 -30.32 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -73.12 -35.13 66.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.038 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 16.2 ptt180 -82.13 -38.86 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.14 -52.18 30.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.742 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.5 tpt -63.01 -48.85 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.6 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 66' ' ' ILE . 3.3 tm? -56.0 -46.26 78.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.273 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.33 -57.45 11.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.548 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.5 pp -60.31 -23.43 64.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.517 HG23 HD12 ' A' ' 81' ' ' LEU . 90.7 m -52.91 -26.14 13.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.75 0.31 . . . . 0.0 111.395 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.83 -42.49 1.43 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.973 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 17' ' ' ILE . 4.1 mm? -57.2 -45.56 83.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.8 10.62 4.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.526 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -130.79 16.17 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.048 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 ' HG ' ' A' ' 22' ' ' LEU . 44.6 pt -131.96 163.21 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 77.2 p -83.81 165.25 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.21 -43.52 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.404 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.5 -45.76 92.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.66 -28.56 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.616 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.513 ' HG ' HD12 ' A' ' 17' ' ' ILE . 3.6 tt -68.52 -37.86 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.1 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.73 -34.04 77.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -73.31 -48.94 30.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -56.36 -54.35 46.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.626 ' HE2' HD21 ' A' ' 48' ' ' LEU . 18.3 ttmt -54.52 -40.27 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -72.87 -24.32 60.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.52 -55.25 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.259 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.96 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.72 90.97 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.0 p -91.48 -48.56 6.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.816 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -93.17 -10.93 34.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.941 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.4 m-85 -79.43 -24.42 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.09 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 42.03 68.16 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.89 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 mt -76.69 128.28 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.705 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -50.36 132.34 24.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.779 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 35.8 ptt180 -66.9 -21.72 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.261 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -69.24 -28.91 66.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.342 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 36' ' ' ALA . 46.9 p -67.19 -17.8 64.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.952 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' ARG . 7.4 mp -46.02 -23.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.21 -54.03 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.652 0.263 . . . . 0.0 111.399 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.2 14.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.43 -30.91 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.478 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 6.2 p-10 -58.98 -54.52 46.19 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.097 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -81.02 -60.76 2.18 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -82.32 -57.41 3.38 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -69.48 -60.31 2.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -174.107 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.626 HD21 ' HE2' ' A' ' 26' ' ' LYS . 52.6 mt -60.48 -53.02 62.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.91 -54.37 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.71 -34.6 77.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -69.03 -56.76 6.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.0 pp -50.46 -32.42 17.92 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 52' ' ' LEU . 95.3 mt -55.67 -42.89 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 111.737 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.65 -27.42 68.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.543 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 t -69.85 -58.58 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.32 -35.28 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.16 -176.73 24.94 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.106 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -70.58 -69.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.84 74.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.743 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.18 -50.16 72.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.996 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.32 -41.81 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.92 -30.86 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.191 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.9 m -71.4 -56.02 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 16.4 pttp -61.31 -33.52 73.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.88 -30.93 48.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.456 HD13 HD22 ' A' ' 9' ' ' LEU . 48.3 mm -64.91 -45.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.274 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -66.3 -47.11 74.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.919 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.8 mt -62.44 -47.37 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.805 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -67.67 -46.26 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.4 pt20 -59.36 -55.32 36.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 111.78 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.25 -7.24 12.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.741 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -109.59 -40.46 4.85 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.12 -50.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HE2' HG22 ' A' ' 17' ' ' ILE . 61.2 m-85 -137.3 63.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.663 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.26 -20.06 1.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.777 0.322 . . . . 0.0 111.038 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -81.06 -51.26 8.68 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.61 -50.0 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.882 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.29 64.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.978 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.8 t-20 -52.36 -36.0 52.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 111.316 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -32.79 65.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.863 0.363 . . . . 0.0 111.21 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.517 HD12 HG23 ' A' ' 12' ' ' THR . 3.8 mm? -72.67 -42.2 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.9 pt-20 -55.09 -25.91 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.98 -33.06 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.45 -29.34 64.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.307 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -51.64 -34.92 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.031 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.26 -38.69 74.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -77.08 -29.04 54.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.634 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.12 -28.64 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -54.53 -54.07 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.318 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.611 ' HB3' ' HZ2' ' A' ' 91' ' ' LYS . 9.0 mtpm? -79.45 -31.45 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.06 -179.849 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.671 0.272 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -37.15 74.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.48 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 48.7 m -60.42 -28.03 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.65 -43.81 45.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.58 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.22 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' HG2' HG21 ' A' ' 62' ' ' VAL . 86.5 mtm180 -82.17 -57.88 3.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.503 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.0 tt0 -58.73 -52.88 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.14 -40.25 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.54 HD22 HD12 ' A' ' 66' ' ' ILE . 2.9 tm? -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.575 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.612 ' HG ' HD23 ' A' ' 52' ' ' LEU . 4.4 mm? -83.55 -55.75 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.52 -23.93 11.89 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.424 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.9 p -67.8 -0.21 3.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 111.467 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.64 -42.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.318 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.44 -46.75 88.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -74.69 -5.5 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.41 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -110.47 16.42 21.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.485 HD11 HD23 ' A' ' 22' ' ' LEU . 45.5 pt -135.17 169.49 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.19 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.2 p -89.25 174.8 7.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' HD11 ' A' ' 22' ' ' LEU . 2.6 mp0 -67.21 -39.08 86.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.463 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 11.3 pt-20 -58.43 -34.4 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.95 -28.64 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.611 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 19' ' ' GLU . 98.2 mt -58.23 -49.55 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.616 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 20' ' ' GLU . 22.7 pttp -63.54 -29.37 70.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.704 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -73.13 -37.85 66.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.688 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -71.22 -47.04 59.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HZ3' HD13 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -64.66 -32.47 74.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.331 -179.595 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -71.83 -30.66 65.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.751 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -79.84 -54.66 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.601 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -69.35 -52.65 25.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.8 mm? -97.37 90.44 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -91.72 -50.82 5.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -96.85 -15.06 21.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.449 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -77.81 -23.82 48.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.041 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 45.49 67.7 0.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.8 tt -66.19 142.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' HG21 ' A' ' 39' ' ' THR . . . -68.99 122.44 18.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.564 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' HD13 ' A' ' 40' ' ' LEU . 38.5 ptt180 -67.27 -25.25 65.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.403 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -65.73 -28.88 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.498 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.593 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.4 p -66.65 -18.22 65.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 37' ' ' ARG . 9.3 mp -49.74 -17.59 0.36 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -57.33 -40.84 78.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.91 14.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.13 -30.23 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.516 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.6 p-10 -57.98 -54.35 47.91 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.033 -177.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 46' ' ' THR . 33.1 ptt180 -81.45 -61.48 1.93 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 45' ' ' ARG . 77.3 p -82.85 -57.35 3.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -69.42 -59.78 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HG ' ' HB2' ' A' ' 43' ' ' ALA . 77.5 mt -56.94 -48.61 77.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.556 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.25 -55.72 19.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.814 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.93 -33.97 74.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -70.69 -58.32 3.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.612 HD23 ' HG ' ' A' ' 10' ' ' LEU . 4.0 pp -57.46 -33.16 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.84 -39.7 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -59.4 -27.11 65.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.467 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.2 m -56.44 -58.36 8.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.03 -35.79 2.79 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.33 -179.04 32.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.01 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.623 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.92 -69.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 111.766 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.13 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -59.28 -44.85 92.44 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -72.22 -37.5 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.528 HG21 ' HG2' ' A' ' 6' ' ' ARG . 93.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.1 t -80.2 -39.13 29.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.5 pttp -71.77 -37.12 70.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 111.282 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.494 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.27 -30.99 52.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.54 HD12 HD22 ' A' ' 9' ' ' LEU . 47.0 mm -67.0 -39.49 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.371 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.628 ' HA ' HE21 ' A' ' 70' ' ' GLN . 6.8 t30 -67.25 -41.77 85.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.5 mt -69.9 -51.15 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -61.95 -43.31 99.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.653 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 25.9 pt20 -62.59 -56.92 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 57.4 tttm -66.78 -7.49 21.67 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -105.35 -41.05 5.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.77 -51.23 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.93 63.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.653 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 22.2 ptm -51.66 -18.75 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.652 0.263 . . . . 0.0 111.216 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -80.71 -50.42 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.236 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.09 -48.66 86.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.234 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.61 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.405 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -55.44 -35.13 65.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.349 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.5 68.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.779 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.3 -44.14 65.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.951 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.5 pt-20 -56.53 -27.81 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.89 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.07 -29.49 70.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' A' ' 82' ' ' GLU . 29.3 mtmm -51.95 -35.17 45.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.569 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -55.7 -37.84 68.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -77.2 -29.43 54.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.653 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.33 67.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.461 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -51.49 -52.61 45.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.616 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.387 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -71.8 -33.11 68.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.175 -179.79 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.52 -38.32 89.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -63.04 -41.16 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.789 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -75.37 -29.86 60.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -71.59 -35.13 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.603 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.428 ' HD2' HD12 ' A' ' 53' ' ' ILE . 38.8 ptt180 -81.86 -39.39 23.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.443 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HG2' HD21 ' A' ' 11' ' ' LEU . 38.9 tt0 -71.72 -53.0 14.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.5 tpp -61.15 -50.02 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD22 HG11 ' A' ' 62' ' ' VAL . 10.1 tt -56.37 -32.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.57 -61.35 2.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.9 pp -53.18 -26.5 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 p -69.29 0.88 4.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.73 -26.03 1.82 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.38 -48.96 10.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.35 -3.64 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -107.15 12.34 28.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.485 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.494 HD12 HD21 ' A' ' 22' ' ' LEU . 35.9 pt -136.21 168.67 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 p -79.0 162.23 26.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.573 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -60.99 -34.37 74.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.312 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 11.7 pt-20 -60.93 -36.76 80.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.776 0.322 . . . . 0.0 110.718 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.97 -29.65 49.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 19' ' ' GLU . 89.7 mt -58.68 -48.8 79.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 60.7 pttt -68.35 -32.29 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.517 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -65.87 -52.0 53.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -54.92 -41.34 70.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.282 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -67.58 -26.69 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.3 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -73.01 -42.73 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.829 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -73.93 -53.85 9.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.67 -52.79 61.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 111.084 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -97.85 92.43 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -90.26 -49.15 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.695 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.31 2.97 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.789 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.616 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 56.1 m-85 -100.62 -25.04 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.208 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 41.56 68.55 0.44 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.108 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.3 140.63 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' HG22 ' A' ' 39' ' ' THR . . . -66.62 142.34 57.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.735 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -67.45 -35.52 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.479 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.8 p -60.08 -28.71 68.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.589 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.544 HG22 ' HB1' ' A' ' 36' ' ' ALA . 41.8 p -61.36 -23.01 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -51.31 -19.93 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.22 -38.81 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.435 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -139.66 14.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.03 0.443 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -47.5 -38.63 14.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.817 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.515 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.8 p-10 -58.58 -55.33 36.47 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -81.26 -61.85 1.83 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -83.1 -58.5 2.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 9.6 mm-40 -70.79 -60.68 2.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -174.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.51 -46.69 81.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -54.18 -54.55 38.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.61 -34.27 76.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -61.09 -57.92 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.2 pp -54.94 -32.55 61.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 52' ' ' LEU . 97.3 mt -61.25 -33.83 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 111.422 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -73.72 -27.3 61.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.237 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -70.38 -58.17 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.893 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.76 -35.44 2.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.92 -178.84 22.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.401 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.32 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.535 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.676 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 m -62.33 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.799 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.92 -43.26 65.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.633 HG11 HD22 ' A' ' 9' ' ' LEU . 75.0 t -58.76 -34.82 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.4 p -68.28 -53.04 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -22.87 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.344 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 82' ' ' GLU . 37.6 mm -72.18 -44.43 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -60.97 -38.94 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.912 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.446 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 58.2 mt -76.23 -51.8 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.02 -39.84 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.575 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.2 pt20 -63.06 -62.14 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 25.6 ttpp -65.59 -7.71 16.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -100.63 -41.53 6.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -125.47 -52.56 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' HB3' HG23 ' A' ' 77' ' ' ILE . 87.9 m-85 -139.14 62.57 1.53 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.575 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.96 -13.83 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -80.47 -51.61 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 74' ' ' TYR . 18.0 tt -70.61 -35.69 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.66 68.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -59.1 -34.88 72.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -40.11 66.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.823 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -41.7 67.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.015 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.51 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -56.0 -25.86 46.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.233 . . . . 0.0 111.468 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.25 -34.29 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.99 -29.79 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.74 -35.27 61.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -57.67 -48.05 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.662 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.6 tt0 -72.12 -28.96 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.8 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.68 -55.33 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.384 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptm180 -67.21 -23.05 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.196 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.85 -27.6 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 110.716 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -29.81 67.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.71 -38.08 58.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.69 -35.65 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.505 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.426 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.9 ptt180 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.737 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.58 -53.32 14.11 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ptm -69.85 -47.3 63.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.566 HD23 HG12 ' A' ' 62' ' ' VAL . 10.2 tt -56.08 -32.65 64.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.483 HD12 HD23 ' A' ' 52' ' ' LEU . 88.7 mt -82.77 -54.74 4.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.0 pp -58.27 -24.52 59.69 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 p -72.75 1.03 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.491 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.54 -45.81 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.635 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 HD13 HD21 ' A' ' 22' ' ' LEU . 3.6 mm? -64.61 -54.22 35.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.879 0.371 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.85 -14.27 62.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.602 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -86.67 -32.08 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 111.163 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 22' ' ' LEU . 46.1 pt -90.74 172.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.408 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 68.7 p -80.16 169.72 17.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' HA ' HD11 ' A' ' 22' ' ' LEU . 1.3 mp0 -62.62 -45.44 92.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.47 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.84 -31.4 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.004 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.35 -29.13 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 17' ' ' ILE . 96.5 mt -58.05 -42.55 85.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -67.7 -39.32 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.424 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.77 -44.33 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.415 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -64.81 -56.47 13.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.48 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -56.89 -36.72 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.758 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -72.46 -25.54 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -77.32 -55.16 5.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.512 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 -51.25 26.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.749 0.309 . . . . 0.0 111.347 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 19.1 mt -95.34 91.3 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -91.45 -49.33 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -93.51 -10.8 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.434 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 75.6 m-85 -81.27 -23.73 37.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.076 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 42.87 66.59 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 tt -62.65 143.63 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB1' HG22 ' A' ' 39' ' ' THR . . . -64.18 127.88 33.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.434 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -66.71 -34.11 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.301 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.1 p -57.84 -28.58 64.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.891 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.515 HG22 ' HB1' ' A' ' 36' ' ' ALA . 43.1 p -59.84 -18.44 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -50.38 -16.3 0.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.71 -52.23 66.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.2 m -132.42 14.9 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.682 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.605 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -42.0 -41.03 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.65 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.499 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.8 p-10 -57.21 -53.15 61.35 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -79.88 -64.44 1.19 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -84.53 -57.84 2.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 117.873 2.545 . . . . 0.0 117.873 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.605 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.71 -60.74 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -173.535 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.33 -44.28 84.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -58.42 -54.86 42.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HA ' HD13 ' A' ' 53' ' ' ILE . 16.5 t70 -67.88 -34.34 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -64.36 -57.63 8.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.9 pp -53.91 -32.97 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 52' ' ' LEU . 96.2 mt -56.92 -46.92 83.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -27.25 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.608 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -72.23 -58.94 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.35 -35.58 2.76 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.11 176.95 20.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.405 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.91 -69.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.61 76.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -65.02 -49.81 68.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HB2' HD12 ' A' ' 52' ' ' LEU . . . -71.52 -41.66 68.92 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.566 HG12 HD23 ' A' ' 9' ' ' LEU . 77.3 t -58.75 -31.31 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.715 0.293 . . . . 0.0 111.45 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.9 m -72.49 -56.51 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.473 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.82 -29.13 70.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.87 50.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' HB3' ' A' ' 82' ' ' GLU . 40.2 mm -67.0 -47.44 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.412 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.52 HD21 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -65.54 -34.33 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.511 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 81.4 mt -75.32 -41.85 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.727 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -71.46 -37.81 71.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.609 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.3 pt20 -65.0 -58.82 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 23.6 ttmm -66.74 -7.96 24.7 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -100.3 -42.05 6.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -126.06 -52.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' HG21 ' A' ' 77' ' ' ILE . 85.8 m-85 -138.83 62.8 1.53 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.609 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.7 ptm -52.21 -9.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.419 ' H ' ' C ' ' A' ' 74' ' ' TYR . 38.7 t-80 -80.94 -51.55 8.43 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 74' ' ' TYR . 15.9 tt -69.54 -36.06 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.85 71.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.54 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 49.6 t30 -57.46 -40.69 79.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.96 -32.35 65.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.968 0.413 . . . . 0.0 111.316 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.46 HD21 ' HG ' ' A' ' 9' ' ' LEU . 67.1 tp -71.93 -41.6 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.474 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 pt-20 -57.38 -25.84 60.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.575 0.226 . . . . 0.0 111.356 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.87 -32.94 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.774 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -59.13 -29.69 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.213 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -52.38 -35.44 51.53 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.18 -36.84 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -76.57 -29.11 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.67 -28.58 61.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.56 -53.59 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.491 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.07 -17.96 61.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -83.55 -21.35 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.781 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 m -64.66 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.37 -31.4 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.432 ' HH ' ' HA ' ' A' ' 85' ' ' LYS . 39.1 t80 -76.51 -38.85 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.543 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -75.76 -34.94 60.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.458 ' HG2' HD22 ' A' ' 11' ' ' LEU . 40.4 tt0 -71.78 -52.5 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.74 -43.86 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.822 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 HD21 ' HZ3' ' A' ' 84' ' ' LYS . 3.0 tm? -57.95 -31.93 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -83.58 -60.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD22 ' HG2' ' A' ' 7' ' ' GLU . 3.9 pp -56.31 -25.92 50.37 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.448 HG23 HD12 ' A' ' 81' ' ' LEU . 13.1 t -63.2 -5.65 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.78 -41.38 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.423 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.85 -47.51 84.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.34 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.33 9.44 7.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -129.19 23.51 5.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.598 0.237 . . . . 0.0 111.618 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.8 pt -134.81 153.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 0.0 111.332 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -67.58 166.28 15.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.5 -34.79 76.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 11.2 pt-20 -62.7 -46.03 90.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.035 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HG2' ' HG3' ' A' ' 20' ' ' GLU . 11.0 mm-40 -77.19 -28.24 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.708 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 HD23 HD23 ' A' ' 40' ' ' LEU . 43.7 tp -53.18 -46.55 68.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.393 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -73.56 -34.39 65.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.399 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.42 -38.18 79.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.88 -52.24 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.196 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HZ3' HG22 ' A' ' 35' ' ' ILE . 63.7 mttm -61.97 -30.87 71.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -66.73 -44.65 81.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.518 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.69 -54.92 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.647 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.95 65.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.768 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 7.5 mt -97.26 90.45 5.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.3 p -92.14 -49.99 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.533 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.12 -14.07 23.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.752 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 79.7 m-85 -77.82 -25.39 48.8 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.01 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 40.99 67.67 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.379 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.576 HG22 ' HZ3' ' A' ' 26' ' ' LYS . 1.7 mp -75.08 137.67 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.511 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB1' HG23 ' A' ' 39' ' ' THR . . . -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -66.9 -33.05 74.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -59.45 -28.57 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.715 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.521 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 41.3 p -66.73 -17.59 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD23 HD23 ' A' ' 22' ' ' LEU . 68.7 mt -50.7 -16.59 0.41 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.01 -38.97 84.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.703 0.287 . . . . 0.0 111.411 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.5 14.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.685 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.605 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -52.86 -30.04 31.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -58.24 -54.19 49.73 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.734 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -81.25 -60.77 2.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.435 HG21 ' H ' ' A' ' 47' ' ' GLU . 2.7 t -82.49 -56.61 3.78 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 117.438 2.384 . . . . 0.0 117.438 -175.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.605 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -67.02 -60.11 2.91 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD23 ' HZ2' ' A' ' 26' ' ' LYS . 17.6 mt -58.48 -50.69 72.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.53 -55.06 24.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.12 -34.72 76.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -74.57 -58.66 3.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.425 HD12 HD13 ' A' ' 53' ' ' ILE . 3.7 pp -66.06 -35.55 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.621 HD11 ' HA ' ' A' ' 58' ' ' ALA . 6.9 mm -60.59 -42.88 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.59 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.01 -26.56 60.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.594 0.235 . . . . 0.0 111.422 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.8 t -56.44 -58.03 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.55 -35.58 2.9 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.61 25.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.437 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.621 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -67.64 -69.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 m -64.46 -50.81 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.24 -39.06 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.1 t -57.94 -35.2 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 p -71.57 -54.6 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 111.755 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -23.08 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.88 75.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 82' ' ' GLU . 26.6 mm -69.09 -38.42 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -60.86 -42.49 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.518 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.4 mt -75.34 -44.33 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.28 -46.41 89.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.211 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.658 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -62.23 -57.52 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.9 tttm -65.23 -8.06 15.8 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -99.21 -42.09 7.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.88 -52.03 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.476 ' HB3' HG22 ' A' ' 77' ' ' ILE . 52.7 m-85 -138.55 63.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.658 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 58.2 ttp -52.22 -12.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.619 0.247 . . . . 0.0 111.535 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -80.57 -51.83 8.3 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.476 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.6 tt -71.59 -38.2 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.182 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 3.4 t-20 -56.38 -40.66 74.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.93 -32.31 65.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.507 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 HG23 ' A' ' 12' ' ' THR . 55.2 mt -70.04 -46.2 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.049 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.0 pt-20 -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.553 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -56.81 -33.17 66.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.392 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.567 ' HZ1' ' HB3' ' A' ' 84' ' ' LYS . 6.6 ttpm? -56.7 -29.5 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.326 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.432 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 87.3 tttt -51.91 -35.23 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.619 ' HB2' ' HZ1' ' A' ' 86' ' ' LYS . 10.4 mtmp? -55.23 -49.02 73.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 43.0 tt0 -71.54 -29.65 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.768 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.47 68.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.368 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.473 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -72.21 -21.59 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.332 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 27.6 mtpp -70.61 -34.54 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.751 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.472 ' HB2' HH21 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -62.44 -29.41 70.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.962 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -55.26 -31.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.417 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.88 -31.85 73.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.542 ' HH ' ' HG2' ' A' ' 85' ' ' LYS . 60.7 t80 -77.58 -25.43 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.472 HH21 ' HB2' ' A' ' 2' ' ' GLU . 15.9 mmt180 -81.74 -54.43 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.471 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.513 ' HG3' ' HA ' ' A' ' 45' ' ' ARG . 37.9 tt0 -61.63 -53.19 59.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.342 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.19 -49.19 78.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 62' ' ' VAL . 8.2 tt -55.99 -31.35 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 52' ' ' LEU . 76.2 mt -80.99 -60.48 2.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.23 -25.93 16.01 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.414 ' N ' HD13 ' A' ' 11' ' ' LEU . 7.4 p -63.48 -8.34 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.748 0.309 . . . . 0.0 111.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.83 -41.28 0.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.184 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.01 -43.13 86.52 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.927 0.394 . . . . 0.0 110.731 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.98 10.69 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.333 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.55 19.41 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 pt -130.96 164.23 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.359 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.8 m -92.04 155.34 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.44 -31.84 68.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.483 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -77.86 -28.41 50.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -54.27 -43.83 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.2 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -60.83 -31.4 70.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.268 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.56 -43.94 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.507 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.62 -50.35 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.5 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HE3' HD22 ' A' ' 40' ' ' LEU . 4.0 mptp? -60.49 -40.74 92.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.733 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -71.84 -38.57 70.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.828 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.93 -56.26 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.07 18.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.392 . . . . 0.0 111.266 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 35' ' ' ILE . 14.4 mt -97.71 90.86 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -91.65 -50.13 5.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.433 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -95.99 -7.12 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.785 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.504 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -84.55 -24.63 29.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.557 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 41.98 68.12 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.605 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.0 tt -60.63 147.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.141 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 123.49 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -67.19 -29.86 69.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.932 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -70.76 -37.16 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.485 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.597 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 75.7 p -66.25 -18.45 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.569 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD22 ' HE3' ' A' ' 26' ' ' LYS . 96.3 mt -52.1 -19.86 2.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.508 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.19 -61.57 2.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.045 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.22 14.14 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.601 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.51 -54.22 48.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.613 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.513 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 27.2 ptt180 -81.54 -62.91 1.51 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 m -84.18 -57.44 3.18 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.44 -59.64 2.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -173.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.587 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -53.63 -38.46 64.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.262 0.483 . . . . 0.0 112.066 -178.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -63.64 -55.1 26.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.892 0.331 . . . . 0.0 111.892 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.64 -33.83 75.74 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.86 -57.85 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 10' ' ' LEU . 4.2 pp -58.12 -32.6 68.29 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 52' ' ' LEU . 93.2 mt -58.23 -34.64 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.381 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -75.17 -27.46 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -69.98 -57.68 4.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.662 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.68 -35.29 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.23 -178.63 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.248 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.96 -69.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . . . -68.11 -37.21 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.801 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.3 m -61.17 -53.79 52.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB3' HD11 ' A' ' 52' ' ' LEU . . . -68.36 -47.89 66.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 9' ' ' LEU . 85.1 t -58.59 -34.47 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.6 m -66.0 -55.24 17.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.633 0.254 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.96 64.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -36.97 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.571 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.2 mm -64.83 -41.28 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.255 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -44.03 97.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.83 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -71.39 -51.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.79 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -54.92 -49.61 70.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.6 pt20 -58.73 -56.39 22.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 111.915 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 98.4 mttt -66.62 -7.63 21.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.9 mm? -105.71 -41.01 5.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -124.54 -51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.409 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 69.9 m-85 -137.69 62.42 1.58 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.655 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.2 ptt? -52.12 -18.67 1.55 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -80.81 -51.28 8.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.057 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.6 mt -65.57 -47.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.468 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.0 -30.93 49.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.516 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.0 t-20 -52.98 -37.15 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 -33.88 66.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.321 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -43.37 65.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.898 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 9.2 pt-20 -57.72 -26.21 61.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.317 . . . . 0.0 110.88 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.32 -33.15 75.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -60.29 -28.8 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.542 ' HG2' ' HH ' ' A' ' 5' ' ' TYR . 56.1 mtpt -51.41 -34.98 37.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.634 ' HB2' ' HZ1' ' A' ' 86' ' ' LYS . 4.7 ttmp? -50.77 -46.78 59.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 33.0 tt0 -77.67 -31.2 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.98 -28.6 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.498 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.25 -51.64 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.82 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 40.7 ptt180 -72.89 -13.15 61.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.526 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -78.66 -11.74 59.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.722 0.296 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.674 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.51 -29.92 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -62.14 -30.0 70.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.46 -32.89 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -66.89 -38.69 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.458 HH11 HG13 ' A' ' 53' ' ' ILE . 38.4 ptt180 -81.0 -45.54 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -49.07 77.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.594 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.36 -49.43 66.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.884 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.434 HD22 HD12 ' A' ' 66' ' ' ILE . 22.7 tp -60.1 -31.46 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.691 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.99 -60.3 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 pp -54.23 -26.16 27.08 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.14 -3.15 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.236 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.82 -40.77 0.48 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.245 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -59.92 -48.29 82.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 110.703 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.14 9.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.52 17.69 9.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 22' ' ' LEU . 23.1 pt -131.14 151.6 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.373 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.7 p -63.96 172.95 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -68.15 -43.32 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.22 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.01 -46.55 87.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.31 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -70.25 -28.61 65.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' HD13 ' A' ' 40' ' ' LEU . 62.0 tp -58.58 -37.04 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.021 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.1 -33.56 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.5 -44.75 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.538 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.86 -57.02 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.235 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HB3' HG21 ' A' ' 35' ' ' ILE . 26.9 mtpp -58.8 -37.21 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -70.21 -25.83 63.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -79.3 -54.13 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -64.96 -51.5 61.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.1 mm? -92.99 90.23 6.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.823 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.2 p -91.93 -49.93 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.31 -16.56 21.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.039 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -77.99 -23.11 48.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 47.35 68.08 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' ' 26' ' ' LYS . 4.9 tp -54.99 158.2 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.98 127.83 47.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.96 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 14.2 ptm180 -66.71 -21.56 66.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.331 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.4 t -59.55 -32.3 70.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 111.041 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.53 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.9 p -77.33 -18.31 57.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.821 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD13 ' HG ' ' A' ' 22' ' ' LEU . 10.6 tp -43.53 -23.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.301 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.55 -54.57 45.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.533 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -125.7 14.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 111.373 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.619 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -51.78 -30.07 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.3 -55.05 39.99 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.452 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -81.28 -61.84 1.83 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -83.3 -57.15 3.38 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 -175.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.619 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -69.33 -59.75 2.79 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -173.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD21 ' HZ1' ' A' ' 26' ' ' LYS . 40.8 mt -54.31 -43.77 71.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.32 0.509 . . . . 0.0 111.269 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.14 -54.89 33.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.97 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.43 -34.1 76.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -72.28 -58.11 3.67 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 53' ' ' ILE . 4.0 pp -62.17 -33.08 73.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.13 -40.78 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.574 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -57.97 -26.56 62.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.613 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -56.23 -57.7 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.7 -35.68 2.86 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.41 177.48 27.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.193 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.39 -69.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.34 77.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.7 p -65.01 -56.29 14.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB3' HD11 ' A' ' 53' ' ' ILE . . . -59.16 -43.5 92.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ALA . 59.5 t -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -72.73 -48.22 40.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -71.17 -25.12 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.34 -31.13 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.434 HD12 HD22 ' A' ' 9' ' ' LEU . 35.7 mm -67.73 -41.48 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.95 -37.41 75.84 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.5 mt -73.05 -46.1 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.09 -32.17 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.677 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.7 pt20 -69.2 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 24.9 ttpp -64.42 -7.83 11.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -101.11 -41.28 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -124.67 -51.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -138.13 63.37 1.54 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.677 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.1 ptp -50.9 -19.72 1.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.608 0.242 . . . . 0.0 111.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -81.42 -43.83 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.133 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -71.15 -50.64 40.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.758 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.23 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 44.3 t-20 -53.0 -41.09 64.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.43 -42.39 65.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.967 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 5.5 pt-20 -51.55 -24.36 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.73 -33.12 54.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.669 0.271 . . . . 0.0 111.399 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.29 -30.27 59.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.199 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.44 -36.06 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.254 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -71.13 -34.9 71.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.4 -30.2 57.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.066 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -28.53 65.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.77 -54.51 27.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -73.76 -20.95 60.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -83.36 -9.14 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.873 179.643 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttm . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -29.8 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.564 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 53.1 m -59.72 -35.48 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.83 -29.83 62.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -72.96 -38.95 66.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.745 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 22.0 ptt85 -81.3 -49.21 11.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.07 -53.13 59.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 tpt -67.27 -50.47 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.481 HD23 HD12 ' A' ' 66' ' ' ILE . 10.1 tt -56.42 -32.68 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.61 -56.77 4.06 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 pp -56.83 -23.99 47.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -60.39 -11.45 6.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.855 0.359 . . . . 0.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.11 -21.28 3.17 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.057 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 22' ' ' LEU . 4.1 mm? -74.76 -59.33 2.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.98 0.39 . . . . 0.0 111.18 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.28 7.31 11.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.473 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.92 19.91 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.528 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.65 158.37 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.252 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -59.39 163.62 3.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.38 -41.12 81.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.301 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.5 pt-20 -58.83 -45.02 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.154 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 44.8 mt-10 -77.58 -28.65 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.562 HD21 HD12 ' A' ' 40' ' ' LEU . 41.6 tp -60.95 -32.97 72.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -77.13 -34.69 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.14 -47.52 76.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.89 -45.08 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.264 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HE3' HD23 ' A' ' 48' ' ' LEU . 34.6 mtpt -64.08 -32.2 73.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -70.89 -46.29 62.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.834 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -68.67 -50.33 51.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.678 0.275 . . . . 0.0 111.508 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.12 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.276 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD11 ' HB ' ' A' ' 35' ' ' ILE . 11.0 mt -97.23 91.15 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.9 p -92.0 -49.74 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.848 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.64 9.51 40.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.964 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.558 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.8 m-85 -104.06 -24.02 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.646 0.26 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 43.96 29.17 0.3 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.591 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.601 ' HB ' HD11 ' A' ' 30' ' ' LEU . 68.9 mt -56.49 138.15 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.877 0.37 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.74 128.83 24.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 32.4 ptt180 -66.53 -44.01 83.63 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -50.94 -28.0 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.63 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.434 HG21 ' HG3' ' A' ' 47' ' ' GLU . 23.8 m -55.91 -18.18 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.956 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.562 HD12 HD21 ' A' ' 22' ' ' LEU . 2.8 pp -52.92 -11.21 0.21 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.4 -40.53 78.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.06 3.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.17 -29.65 46.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.187 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -57.99 -52.11 66.88 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -79.7 -64.07 1.27 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -83.61 -56.56 3.66 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 117.577 2.436 . . . . 0.0 117.577 -175.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.629 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.8 mm-40 -68.58 -60.22 2.57 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -173.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 43' ' ' ALA . 48.7 mt -59.89 -52.64 64.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.46 -54.48 26.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.33 -33.95 75.22 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -73.63 -57.83 3.72 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 53' ' ' ILE . 4.4 pp -50.63 -32.01 17.73 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.5 mt -52.8 -46.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 111.756 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.67 -27.16 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.742 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.4 t -62.26 -58.66 6.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.04 -35.56 2.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.89 -178.35 29.21 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.207 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.47 -69.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.28 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.014 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.2 m -61.57 -56.04 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.918 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -59.54 -43.54 93.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG13 HD22 ' A' ' 9' ' ' LEU . 98.0 t -62.23 -30.96 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 111.375 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.0 m -75.97 -50.05 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.429 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.1 pttp -65.1 -32.64 74.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.57 -31.12 56.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 82' ' ' GLU . 21.4 mm -67.3 -41.08 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.55 -42.07 95.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.617 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.6 mt -71.05 -43.49 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.89 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -70.92 -40.72 71.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.1 pt20 -62.87 -57.37 11.05 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 85.4 tttt -66.05 -7.8 19.51 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -101.76 -41.5 6.51 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 14.4 m120 -125.48 -51.36 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -137.48 64.29 1.53 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.663 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.1 ptt? -50.56 -24.85 3.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -81.45 -34.24 31.59 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.594 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.5 mt -70.61 -50.48 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 111.232 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 66' ' ' ILE . . . -57.38 -30.27 64.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.576 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.1 t-20 -52.65 -41.75 64.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.163 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.49 65.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.456 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.39 -45.9 65.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.75 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.3 pt-20 -58.32 -26.31 62.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.078 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.408 ' HG3' ' HE3' ' A' ' 86' ' ' LYS . 40.3 tt0 -59.27 -33.28 70.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.67 -28.64 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.333 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -51.03 -34.96 31.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.609 ' HZ2' ' HB2' ' A' ' 86' ' ' LYS . 10.3 mtmp? -57.64 -41.5 81.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.506 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -76.94 -29.03 55.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.78 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -58.68 -28.57 65.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -51.77 -55.33 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.581 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -68.88 -15.88 63.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.046 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.4 mtpp -83.18 -21.93 33.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.477 ' H1 ' ' HZ1' ' A' ' 91' ' ' LYS . 2.1 mpt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.86 -29.26 69.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 m -60.74 -41.38 95.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' MET . 40.7 mt-10 -75.43 -30.1 59.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.2 -36.75 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.474 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.47 HH21 ' HB2' ' A' ' 58' ' ' ALA . 5.9 ptp180 -81.96 -43.52 17.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 111.702 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.65 -52.95 62.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 mmt -70.33 -46.59 63.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.575 HD23 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -55.86 -31.79 63.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.814 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.421 HD12 HD23 ' A' ' 52' ' ' LEU . 59.6 mt -84.44 -59.52 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 pp -57.88 -23.8 54.73 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 9' ' ' LEU . 15.2 t -65.35 -5.27 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.673 0.273 . . . . 0.0 111.299 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.09 -44.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.577 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -78.98 -2.13 38.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -113.05 14.31 19.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.43 177.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.32 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 72.6 p -95.55 174.46 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.03 -45.47 73.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.449 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.67 -42.18 78.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -77.04 -28.43 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.73 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 40' ' ' LEU . 2.7 tt -62.01 -48.71 79.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.45 -30.91 70.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -62.36 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.33 -56.52 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HE2' HD12 ' A' ' 35' ' ' ILE . 9.6 mtpm? -55.59 -34.25 64.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.336 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -69.12 -35.69 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.34 -53.85 8.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.45 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -59.84 -51.54 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.389 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.9 mm? -97.06 90.91 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.431 ' HG1' ' HG3' ' A' ' 32' ' ' GLU . 57.8 p -91.69 -50.41 5.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.697 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HG3' ' HG1' ' A' ' 31' ' ' THR . 42.2 mt-10 -95.75 -16.62 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.261 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.83 -22.96 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 47.71 68.11 0.71 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.338 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.467 HD12 ' HE2' ' A' ' 26' ' ' LYS . 21.6 tt -70.03 140.33 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.721 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.97 124.25 23.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.643 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -21.42 66.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -63.73 -28.34 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.5 p -56.45 -18.38 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.852 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 22' ' ' LEU . 5.0 mp -47.75 -20.24 0.27 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -53.68 -46.25 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.19 14.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -43.5 -43.57 5.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.33 -0.85 . . . . 0.0 113.025 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -57.13 -54.73 43.44 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.472 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -81.84 -63.34 1.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.2 m -85.28 -59.21 2.39 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 118.108 2.633 . . . . 0.0 118.108 -175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.63 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 44.9 mt-10 -71.17 -59.9 2.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -173.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.88 -33.68 72.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.192 0.451 . . . . 0.0 111.646 -178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.78 -54.77 26.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.8 t70 -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.681 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.431 ' ND1' HD13 ' A' ' 35' ' ' ILE . 54.6 t-80 -60.76 -58.23 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.542 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.5 pp -54.7 -32.73 59.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.542 ' N ' HD11 ' A' ' 52' ' ' LEU . 97.2 mt -56.44 -37.21 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.12 -27.33 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.344 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.1 m -65.66 -58.79 4.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.44 -35.08 2.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.805 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.22 -175.42 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.167 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB2' HH21 ' A' ' 6' ' ' ARG . . . -71.26 -69.92 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.299 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.65 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.643 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.9 m -57.8 -54.83 42.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.957 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . . . -67.77 -46.99 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.575 HG13 HD23 ' A' ' 9' ' ' LEU . 68.1 t -58.82 -31.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.675 0.274 . . . . 0.0 111.599 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.525 ' HG1' ' HZ3' ' A' ' 85' ' ' LYS . 87.4 m -76.42 -54.2 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.693 0.283 . . . . 0.0 111.462 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.4 pttp -63.04 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.28 -31.24 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.517 HG22 ' HB3' ' A' ' 82' ' ' GLU . 34.8 mm -72.51 -42.94 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.69 -37.51 86.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.417 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -75.62 -51.17 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.667 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.35 -36.48 78.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.644 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 14.0 pt20 -67.82 -59.47 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 39.8 ttmt -65.59 -7.79 16.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -103.79 -40.8 6.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.36 -50.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -137.67 63.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.644 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.9 ptt? -51.24 -21.29 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.191 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -81.04 -50.96 9.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.483 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.74 -49.92 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.85 -30.75 46.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.0 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -57.1 -35.31 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.197 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.89 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -70.48 -38.25 74.37 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.517 ' HB3' HG22 ' A' ' 66' ' ' ILE . 11.4 pt-20 -57.3 -25.82 59.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.666 0.27 . . . . 0.0 111.56 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.13 -32.98 68.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.2 -29.82 61.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HZ3' ' HG1' ' A' ' 63' ' ' THR . 63.5 tttp -52.08 -34.65 44.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 86' ' ' LYS . 1.5 tpmt? -51.85 -40.99 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -77.21 -28.94 53.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -53.21 -29.14 30.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.586 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.21 -53.47 57.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.312 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.42 -15.14 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.251 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HZ1' ' H1 ' ' A' ' 1' ' ' MET . 29.2 mtpp -73.88 -42.06 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.846 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.57 -29.42 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.478 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 55.3 m -61.17 -31.64 71.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -75.69 -29.78 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -71.82 -41.29 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.34 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 37.8 ptt180 -75.76 -35.37 60.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.63 -52.33 18.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.638 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.88 -49.92 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.4 -35.11 67.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.534 ' HG ' HD23 ' A' ' 52' ' ' LEU . 4.2 mm? -79.99 -56.03 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 12' ' ' THR . 4.5 pp -52.8 -23.99 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.43 ' N ' HD13 ' A' ' 11' ' ' LEU . 99.3 m -56.15 -34.95 66.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 111.393 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.26 -44.99 3.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.066 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.498 HD12 HD13 ' A' ' 22' ' ' LEU . 2.9 mm? -58.33 -44.12 88.55 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.861 0.331 . . . . 0.0 111.254 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.13 10.4 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.431 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -122.96 -21.76 5.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.2 pt -93.8 174.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.39 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p -91.18 -179.9 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.225 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.67 -39.93 80.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.65 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -70.48 -28.47 65.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.033 0.444 . . . . 0.0 110.305 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 HD12 ' A' ' 14' ' ' LEU . 30.7 tp -69.39 -32.55 71.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.489 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -77.76 -38.63 46.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.21 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -70.56 -35.18 72.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -54.72 -53.05 60.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.289 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HE3' ' HG ' ' A' ' 48' ' ' LEU . 63.1 mttp -68.44 -29.64 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.384 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.61 -37.94 77.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.542 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -79.53 -54.46 5.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.65 0.262 . . . . 0.0 111.423 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HB3' HD13 ' A' ' 30' ' ' LEU . . . -65.62 -52.62 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.613 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 5.7 mp -98.12 90.67 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.433 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -92.15 -49.44 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.47 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.22 0.13 53.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.58 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.644 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 87.4 m-85 -87.33 -23.43 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 44.26 52.52 7.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.222 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.423 ' HB ' HD23 ' A' ' 30' ' ' LEU . 20.5 tt -59.16 145.72 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.009 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 39' ' ' THR . . . -70.45 125.93 28.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.897 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.445 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -67.1 -18.95 65.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.447 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -70.6 -28.53 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.177 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 36' ' ' ALA . 62.5 p -62.17 -18.6 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 37' ' ' ARG . 10.1 mp -51.34 -15.08 0.34 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.73 -50.46 73.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -129.79 14.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.637 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.69 -39.16 7.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.174 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.65 -54.33 47.38 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.456 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HG3' HG23 ' A' ' 46' ' ' THR . 14.7 ptp180 -80.69 -62.34 1.7 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.405 HG23 ' HG3' ' A' ' 45' ' ' ARG . 65.4 p -84.72 -59.5 2.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -175.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.638 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -71.42 -60.77 2.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -173.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' HE3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -59.22 -50.43 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.01 -55.13 30.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.28 -39.22 82.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.34 -54.65 33.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' HG ' ' A' ' 10' ' ' LEU . 4.4 pp -54.41 -32.57 57.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.657 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.661 HD13 ' HA ' ' A' ' 58' ' ' ALA . 7.1 mm -56.92 -41.94 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 111.183 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -57.49 -27.08 62.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.696 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 m -56.52 -58.25 8.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.09 -35.36 2.83 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.89 178.93 28.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.03 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.661 ' HA ' HD13 ' A' ' 53' ' ' ILE . . . -64.33 -69.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.692 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.43 74.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.953 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -66.37 -56.05 12.94 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.31 82.1 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 9' ' ' LEU . 85.7 t -58.05 -30.87 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.684 0.278 . . . . 0.0 111.618 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.3 m -76.34 -51.04 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -23.15 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.32 75.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.325 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 9' ' ' LEU . 48.8 mm -66.33 -38.28 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -64.11 -41.7 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 56.4 mt -74.75 -47.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.88 -40.79 96.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.634 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.9 pt20 -63.44 -59.58 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 22.3 ttmm -66.01 -8.07 20.85 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -177.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -100.2 -41.75 6.97 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.94 -50.8 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -136.68 62.78 1.59 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.634 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 17.2 ptp -51.66 -19.24 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.117 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -80.97 -50.27 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.063 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -63.03 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.64 -31.13 56.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.536 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.9 t-20 -55.03 -40.2 69.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.0 -32.59 65.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.471 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD21 ' HG ' ' A' ' 9' ' ' LEU . 50.0 tp -72.26 -44.48 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -55.98 -25.96 46.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.567 0.222 . . . . 0.0 111.399 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.66 -34.03 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.581 ' HZ1' ' HB3' ' A' ' 87' ' ' GLU . 14.3 tptp -57.3 -30.15 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 85' ' ' LYS . 5.7 tmmm? -57.38 -35.18 69.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.224 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.89 -50.43 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.581 ' HB3' ' HZ1' ' A' ' 84' ' ' LYS . 40.3 tt0 -73.57 -29.23 62.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.36 -28.16 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.397 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -51.21 -53.12 38.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.739 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -73.53 -20.22 60.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.453 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.29 -21.57 62.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.337 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.421 -179.502 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -69.5 -30.87 68.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -60.9 -26.26 67.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.16 -29.82 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -86.57 -30.29 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.235 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.582 ' HG2' HG21 ' A' ' 62' ' ' VAL . 84.6 mtm180 -81.96 -60.08 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.526 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 11' ' ' LEU . 39.1 tt0 -55.05 -52.85 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.125 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -58.09 -49.99 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 HG11 ' A' ' 62' ' ' VAL . 8.8 tt -58.5 -31.9 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.775 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.2 mt -78.37 -60.84 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD22 ' HG2' ' A' ' 7' ' ' GLU . 4.3 pp -55.11 -25.06 29.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 -2.7 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.16 -31.3 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.713 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD12 HD23 ' A' ' 22' ' ' LEU . 3.9 mm? -72.54 -51.81 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.83 5.84 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.017 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.8 11.3 20.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.541 HD11 HD22 ' A' ' 22' ' ' LEU . 39.0 pt -135.23 -178.16 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 19' ' ' GLU . 13.8 m -86.73 158.64 19.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 18' ' ' THR . 10.9 pt-20 -57.88 -42.31 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.16 -29.16 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.767 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.97 -28.15 55.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 17' ' ' ILE . 96.2 mt -58.2 -49.46 76.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.595 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.06 -30.59 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.05 -43.55 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.891 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -67.54 -35.52 79.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.609 ' HD2' HG23 ' A' ' 35' ' ' ILE . 47.9 mmtm -69.69 -40.17 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.86 -29.81 69.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.693 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -79.24 -55.71 4.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.688 0.28 . . . . 0.0 111.555 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -51.43 23.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 111.331 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 7.2 mt -96.77 90.55 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -92.11 -49.62 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.546 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.27 -11.36 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.379 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -77.99 -23.87 48.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.223 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 42.29 67.86 0.54 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.609 HG23 ' HD2' ' A' ' 26' ' ' LYS . 10.2 tt -73.13 148.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.067 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.77 123.37 17.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.416 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -66.87 -27.67 67.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.377 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p -72.96 -40.76 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.68 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.426 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 70.5 p -58.85 -17.62 25.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.905 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -48.54 -21.17 0.52 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.843 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.2 -60.42 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.336 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 m -106.59 10.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.263 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.607 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -57.2 -29.19 63.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -57.12 -53.65 55.68 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.068 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -81.23 -61.92 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.5 p -83.32 -56.96 3.46 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -65.58 -60.37 2.99 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 11.2 mt -55.53 -49.85 71.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -51.79 -55.47 19.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.02 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.29 -36.49 77.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -74.79 -59.31 2.79 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD13 HD12 ' A' ' 53' ' ' ILE . 3.2 pp -63.03 -36.41 83.48 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.703 HD13 ' HA ' ' A' ' 58' ' ' ALA . 8.5 mm -61.12 -39.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.38 -26.99 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -56.55 -58.44 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.08 -35.68 2.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.15 178.3 26.7 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.703 ' HA ' HD13 ' A' ' 53' ' ' ILE . . . -67.12 -69.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.01 99.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.4 m -57.78 -50.47 73.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.78 -44.69 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.582 HG21 ' HG2' ' A' ' 6' ' ' ARG . 70.6 t -58.34 -32.38 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.2 p -73.91 -54.06 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.66 0.267 . . . . 0.0 111.686 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -24.16 67.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.095 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -31.59 66.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 82' ' ' GLU . 38.8 mm -73.88 -41.81 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.314 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.413 ' HA ' ' NE2' ' A' ' 70' ' ' GLN . 2.8 t-20 -65.36 -39.33 92.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.83 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.9 mt -74.0 -46.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.752 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -62.74 -45.51 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.77 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.694 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.0 pt20 -60.58 -55.6 31.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 112.03 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.523 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 14.4 mmmm -66.37 -7.37 18.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -104.38 -41.55 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -125.38 -51.87 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -138.33 63.57 1.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.694 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 5.2 ppp? -51.66 -13.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.665 0.269 . . . . 0.0 111.439 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -81.26 -49.2 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.796 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.5 tt -70.03 -37.09 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.95 -30.9 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.622 0.249 . . . . 0.0 111.377 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -54.23 -34.07 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.81 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.339 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.15 -46.48 56.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.813 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.9 pt-20 -57.51 -26.73 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.81 -38.12 85.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.22 -29.47 68.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.229 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.6 ' HZ3' ' HB3' ' A' ' 85' ' ' LYS . 9.0 mtpm? -52.14 -35.07 47.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.433 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HZ1' ' HB3' ' A' ' 86' ' ' LYS . 6.9 mtpm? -49.62 -52.29 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 7.7 tp10 -77.43 -28.84 52.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.3 -28.02 17.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.139 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 11.8 pt-20 -51.43 -45.24 62.55 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.89 -21.76 60.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.733 0.301 . . . . 0.0 111.146 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -83.54 -20.87 33.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.36 -49.54 73.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -57.8 -38.0 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.408 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.5 -29.22 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.805 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -74.59 -35.0 62.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.653 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 33.0 ptt180 -77.54 -46.47 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.66 0.266 . . . . 0.0 111.621 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 42.6 tt0 -64.78 -51.88 59.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.96 -44.78 96.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD23 HD12 ' A' ' 66' ' ' ILE . 10.4 tt -67.11 -40.5 86.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 52' ' ' LEU . 64.8 mt -75.46 -45.11 40.57 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD23 ' HG2' ' A' ' 7' ' ' GLU . 3.9 pp -60.49 -23.74 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.562 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.461 HG22 HD22 ' A' ' 81' ' ' LEU . 31.5 m -58.47 -16.69 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.72 -50.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.937 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.58 -43.47 84.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.888 0.375 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.82 9.87 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -134.14 22.97 3.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.352 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 pt -137.66 158.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.261 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -75.47 172.11 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.5 -42.87 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 10.4 pt-20 -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.105 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.56 -28.49 51.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD21 HD23 ' A' ' 40' ' ' LEU . 6.8 tt -54.86 -49.75 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.301 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 55.4 pttt -71.97 -29.3 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.176 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -58.87 -41.19 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.25 -55.85 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HE3' HD23 ' A' ' 40' ' ' LEU . 16.1 mtmm -63.79 -24.21 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.653 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.7 -46.05 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.296 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.99 -47.14 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.425 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 15.3 mt -98.53 90.87 4.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.431 ' HG1' ' HG3' ' A' ' 32' ' ' GLU . 81.6 p -92.12 -50.55 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.847 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HG3' ' HG1' ' A' ' 31' ' ' THR . 42.7 mt-10 -96.51 -7.4 34.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.885 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.531 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 73.5 m-85 -79.32 -23.68 43.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 42.95 68.3 0.52 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.364 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.406 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.4 tt -65.74 154.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.21 127.63 32.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 0.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -67.26 -20.21 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.8 p -72.99 -33.85 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.285 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 70.9 p -69.91 -18.32 63.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.716 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.568 HD23 HD21 ' A' ' 22' ' ' LEU . 85.6 mt -50.15 -19.2 0.71 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.104 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.26 -63.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.46 14.05 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.654 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -50.1 -37.43 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.393 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.54 -53.77 53.64 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.874 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -80.66 -62.81 1.56 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.4 p -85.21 -59.68 2.26 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.654 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 6.3 mm-40 -71.79 -60.85 2.02 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -58.1 -51.23 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -177.58 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 10' ' ' LEU . . . -53.9 -54.44 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.91 -34.05 75.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -71.51 -57.81 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.491 HD22 HD12 ' A' ' 10' ' ' LEU . 3.4 pp -55.2 -39.89 70.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' HB ' ' HA ' ' A' ' 58' ' ' ALA . 2.7 pp -70.28 -26.99 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 0.0 111.725 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' N ' HD12 ' A' ' 53' ' ' ILE . 28.1 tt0 -58.79 -27.16 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.745 0.307 . . . . 0.0 111.27 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -56.39 -57.96 10.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.94 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.41 -35.51 2.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.788 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.74 170.51 23.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.401 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.462 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . . . -70.53 -68.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.468 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.02 -32.37 46.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.111 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.0 m -74.98 -55.9 5.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -69.58 -43.81 72.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.8 t -58.05 -30.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.7 p -81.18 -50.08 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.7 pttp -64.33 -28.98 70.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.182 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.88 -30.6 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' A' ' 82' ' ' GLU . 32.8 mm -61.1 -43.18 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.436 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -61.58 -42.29 98.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.772 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -71.92 -51.54 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.25 -46.12 89.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.645 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.5 pt20 -57.99 -53.22 60.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 0.0 111.736 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.542 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 11.8 mmmm -68.73 -7.43 33.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.58 -41.37 5.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -124.98 -51.25 1.68 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -137.6 64.33 1.52 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.645 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 56.8 ttp -50.52 -20.62 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 0.0 111.11 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -80.66 -50.48 9.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.417 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.25 -44.22 97.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.89 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.99 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -52.86 -32.46 44.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.234 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.18 69.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.461 HD22 HG22 ' A' ' 12' ' ' THR . 96.0 mt -72.37 -47.17 51.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.895 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -54.84 -30.33 57.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 111.37 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.74 -38.07 85.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -61.38 -29.97 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -53.68 -35.57 61.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -56.96 -38.59 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.56 -29.09 56.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.81 -28.62 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -57.0 -54.62 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.33 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.72 -21.89 64.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.093 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -70.26 -47.68 60.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.6 mtp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.18 -33.37 75.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.426 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 85.4 p -60.09 -25.41 65.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.348 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.97 -45.73 40.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.202 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.56 -29.75 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HG2' HG22 ' A' ' 62' ' ' VAL . 51.1 mtm180 -82.6 -56.84 3.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 0.0 111.912 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG2' HD22 ' A' ' 11' ' ' LEU . 43.4 tt0 -57.26 -53.2 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.13 -50.48 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.535 HD22 HG12 ' A' ' 62' ' ' VAL . 10.0 tt -57.5 -32.64 67.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.086 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' HG ' HD22 ' A' ' 52' ' ' LEU . 3.9 mm? -80.79 -55.66 4.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 HD22 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -55.32 -23.76 25.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.5 m -58.23 -22.63 52.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 -39.12 2.08 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.978 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.05 -48.51 79.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.212 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.15 4.02 21.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.528 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -118.45 24.09 11.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.685 0.279 . . . . 0.0 111.433 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.1 pt -136.96 148.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.235 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -63.95 -179.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -45.43 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.394 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.346 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.18 -28.02 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.696 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD21 HD11 ' A' ' 40' ' ' LEU . 45.6 tp -65.15 -37.33 87.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.03 -30.46 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.76 -52.22 52.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.377 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -54.87 -37.55 66.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HZ2' ' HG ' ' A' ' 48' ' ' LEU . 63.0 mmtt -66.79 -31.28 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.374 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -73.02 -50.87 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.63 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -69.26 -54.68 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -52.98 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.715 0.293 . . . . 0.0 111.538 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' A' ' 35' ' ' ILE . 12.7 mt -98.49 90.54 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -91.94 -50.54 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.488 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -96.81 -8.92 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.871 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.469 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 91.7 m-85 -79.2 -24.42 43.16 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.372 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 42.13 37.92 0.98 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.072 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.578 ' HB ' HD13 ' A' ' 30' ' ' LEU . 16.1 mt -56.46 137.29 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.007 0.432 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.49 145.69 51.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.762 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HD3' HD23 ' A' ' 40' ' ' LEU . 19.8 tpp180 -66.68 -31.01 71.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.081 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -62.52 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 47' ' ' GLU . 19.6 m -56.54 -20.7 21.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.719 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD11 HD21 ' A' ' 22' ' ' LEU . 4.3 mm? -57.4 -8.78 0.85 Allowed 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.58 -58.09 7.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.31 14.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.23 -40.81 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.442 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.63 -52.83 63.36 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -79.73 -64.13 1.26 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.503 ' HG1' ' H ' ' A' ' 47' ' ' GLU . 64.5 p -84.46 -58.33 2.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 -175.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.611 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -70.4 -60.67 2.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -173.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HG ' ' HZ2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -57.12 -52.51 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -177.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.72 -54.74 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.98 -40.16 83.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.55 -56.23 15.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 53' ' ' ILE . 4.4 pp -50.71 -31.87 17.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.644 HD11 ' HA ' ' A' ' 58' ' ' ALA . 6.7 mm -56.2 -40.25 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.771 0.32 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -58.51 -26.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.698 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -56.53 -59.08 5.5 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.72 -35.67 2.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' HG21 ' A' ' 53' ' ' ILE . . . 157.22 -173.4 34.75 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.113 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.644 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -67.05 -69.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.05 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -55.62 -53.05 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.42 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.535 HG12 HD22 ' A' ' 9' ' ' LEU . 80.3 t -69.11 -32.87 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.6 p -74.04 -52.85 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -33.65 70.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.156 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.85 62.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.256 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.5 HD13 HD23 ' A' ' 9' ' ' LEU . 39.5 mm -66.23 -44.61 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.378 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.56 -36.48 83.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.808 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 76.9 mt -73.47 -52.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.704 0.287 . . . . 0.0 111.61 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.21 -36.88 81.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.161 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.656 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.6 pt20 -69.62 -55.15 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.393 . . . . 0.0 111.646 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 58.4 mtpt -66.86 -7.41 21.59 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.1 mm? -109.01 -40.55 4.96 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -124.16 -51.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -138.0 63.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.656 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.4 ptt? -51.05 -21.29 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -80.91 -51.24 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.45 -46.21 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.725 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.506 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -54.09 -30.32 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.955 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -52.25 -32.69 38.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.67 68.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.148 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.56 -45.75 57.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.065 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -55.41 -32.32 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.619 0.247 . . . . 0.0 111.349 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.97 -33.04 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.587 ' HB2' ' HZ1' ' A' ' 84' ' ' LYS . 4.7 ttmp? -59.55 -30.02 68.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.41 -35.34 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -54.48 -41.43 69.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 42.7 tt0 -74.68 -29.99 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.24 -28.6 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.269 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.06 -54.52 34.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.22 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.49 -17.22 61.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -74.61 -24.94 58.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.83 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -59.08 -35.89 74.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.38 -30.13 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.606 ' HH ' ' HA ' ' A' ' 85' ' ' LYS . 62.8 t80 -73.95 -39.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.7 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -81.63 -34.76 30.67 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.76 -46.2 69.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.52 ' HA ' HD22 ' A' ' 11' ' ' LEU . 16.3 tpt -70.44 -46.53 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.478 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 62' ' ' VAL . 7.8 tt -56.31 -32.19 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.718 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -81.39 -58.26 3.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -56.22 -23.95 38.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.466 ' N ' HD21 ' A' ' 11' ' ' LEU . 69.1 m -60.92 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.394 . . . . 0.0 110.755 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.8 -42.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.744 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.68 -44.6 77.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.667 0.27 . . . . 0.0 111.446 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.09 -3.21 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.55 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -113.83 19.35 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.375 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 pt -133.25 177.47 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.349 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -95.34 172.51 8.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.39 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.42 -47.46 67.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.751 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.21 -31.78 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.463 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -28.48 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.262 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.73 -49.14 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.419 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 57.7 mtmt -67.96 -29.46 68.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.845 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.63 -51.92 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -54.32 48.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.433 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HD3' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.11 -24.36 67.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.752 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 51.7 t80 -63.7 -43.52 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.686 0.279 . . . . 0.0 111.221 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -75.97 -55.51 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.813 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.2 -53.36 50.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.669 0.271 . . . . 0.0 111.368 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.574 HD23 ' HB ' ' A' ' 35' ' ' ILE . 5.4 mp -98.5 90.72 4.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.235 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.1 p -91.49 -50.63 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 111.327 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.61 -8.37 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.5 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 97.4 m-85 -78.84 -23.42 45.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.509 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 44.3 68.53 0.53 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.669 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.574 ' HB ' HD23 ' A' ' 30' ' ' LEU . 8.8 tp -55.51 158.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 35' ' ' ILE . . . -85.78 119.55 26.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -67.01 -34.4 77.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.981 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.3 m -69.1 -34.38 75.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.298 . . . . 0.0 111.533 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.422 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 80.4 p -73.2 -17.72 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.853 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.5 mt -41.76 -27.81 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.26 -64.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.21 8.32 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.77 -29.09 59.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.31 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.518 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.8 p-10 -57.5 -54.11 50.5 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.308 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -81.06 -61.79 1.85 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.414 HG21 ' H ' ' A' ' 47' ' ' GLU . 2.8 t -83.11 -56.6 3.69 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -68.32 -60.77 2.2 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -173.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.527 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 57.6 mt -56.33 -44.11 79.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -55.15 -56.34 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.73 -33.78 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 11.1 t-80 -71.66 -57.44 4.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 53' ' ' ILE . 3.6 pp -69.68 -32.73 71.52 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.5 mm -64.41 -48.4 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 27.1 pt20 -52.91 -26.79 16.01 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.534 ' HG ' ' H ' ' A' ' 56' ' ' ALA . 36.9 p -56.27 -57.15 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.534 ' H ' ' HG ' ' A' ' 55' ' ' SER . . . -122.78 -35.21 3.08 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.28 173.96 22.39 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.647 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.669 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -66.84 -69.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.26 77.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.4 p -63.35 -50.0 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 53' ' ' ILE . . . -72.04 -45.41 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 9' ' ' LEU . 96.5 t -58.07 -30.72 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.547 HG22 ' HE3' ' A' ' 85' ' ' LYS . 40.5 p -77.23 -51.53 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -66.63 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.44 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.71 -30.89 45.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 111.016 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 82' ' ' GLU . 46.3 mm -64.26 -46.94 91.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.652 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.11 -38.56 79.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.109 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 68.8 mt -75.53 -52.12 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.48 -34.2 72.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.646 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.8 pt20 -72.4 -56.42 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.535 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 28.9 mtpp -65.85 -7.76 18.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.5 mm? -103.8 -41.27 5.96 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -177.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -124.71 -50.88 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -137.39 62.66 1.58 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.646 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 21.0 ptp -51.87 -19.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.685 0.279 . . . . 0.0 111.324 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -81.08 -51.27 8.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.228 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.2 -49.85 79.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.803 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -30.94 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.639 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.5 t30 -53.08 -36.43 60.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.397 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -32.29 65.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.418 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.9 mt -71.24 -46.77 60.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.125 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB3' HG23 ' A' ' 66' ' ' ILE . 12.6 pt-20 -55.18 -25.8 34.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.602 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.68 -33.78 70.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -65.13 -28.5 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.618 ' HB2' ' HZ1' ' A' ' 85' ' ' LYS . 5.1 ttmp? -51.26 -37.97 50.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.536 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.58 -36.36 69.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.32 -29.01 53.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.706 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.22 -28.49 69.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.23 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.53 -52.36 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.431 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -71.06 -23.39 62.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.388 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -66.54 -28.69 68.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.098 -179.741 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.1 -34.46 73.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -58.35 -42.33 86.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.48 -31.28 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.49 -43.23 93.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.662 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -81.29 -34.63 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 111.514 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.42 -47.0 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.043 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.423 ' HE3' ' HE2' ' A' ' 84' ' ' LYS . 26.9 ptm -73.14 -42.63 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 62' ' ' VAL . 6.3 tt -56.1 -32.03 63.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.643 0.258 . . . . 0.0 111.513 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.455 HD11 HD23 ' A' ' 52' ' ' LEU . 84.7 mt -82.13 -55.02 4.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -58.4 -25.31 61.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.963 -179.085 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.449 ' N ' HD21 ' A' ' 11' ' ' LEU . 10.8 p -68.29 -6.41 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.0 -41.98 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.581 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.36 -47.92 82.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.212 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.89 10.78 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.583 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -121.02 -11.58 8.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.488 HD12 HD22 ' A' ' 22' ' ' LEU . 29.0 pt -100.16 175.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 111.452 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 m -84.13 155.93 22.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.13 -41.77 75.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.287 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.18 -31.23 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.89 -28.01 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.488 HD22 HD12 ' A' ' 17' ' ' ILE . 90.1 mt -53.74 -49.32 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.46 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -65.19 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.61 -35.08 78.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.28 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -72.33 -54.84 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.681 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HE2' HD23 ' A' ' 48' ' ' LEU . 1.3 mptm? -62.32 -35.45 79.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.836 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.27 -30.51 69.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.498 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -79.39 -55.62 4.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.536 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' HB3' HD21 ' A' ' 30' ' ' LEU . . . -71.71 -52.15 19.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.194 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.576 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.76 91.53 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.2 p -90.42 -45.94 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.949 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -94.73 -15.38 23.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.576 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 58.5 m-85 -79.92 -24.7 40.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.295 -179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 41.48 68.03 0.49 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.042 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 mt -60.9 137.16 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.044 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 39' ' ' THR . . . -61.53 134.72 57.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.475 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -67.01 -29.76 69.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.386 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.3 t -67.44 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.791 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.589 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 67.3 p -59.4 -18.27 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD21 HD12 ' A' ' 22' ' ' LEU . 10.1 mp -55.31 -13.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.603 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.28 -43.52 83.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.81 13.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -50.44 -29.7 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.078 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.6 p-10 -57.93 -52.74 64.26 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.868 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -79.78 -64.17 1.25 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.9 m -83.72 -57.61 3.15 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.611 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.21 -59.9 3.85 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -173.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 80.7 mt -58.93 -46.21 88.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.39 -55.79 19.33 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -68.71 -33.56 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -70.3 -58.72 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 53' ' ' ILE . 3.6 pp -64.76 -32.82 74.68 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.628 HD13 ' HA ' ' A' ' 58' ' ' ALA . 5.4 mm -60.15 -33.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.864 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -71.34 -27.1 63.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.6 t -58.23 -57.45 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.068 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.61 172.85 22.16 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.501 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.628 ' HA ' HD13 ' A' ' 53' ' ' ILE . . . -61.2 -69.83 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.487 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.02 73.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.146 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -47.25 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.35 -37.0 71.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 9' ' ' LEU . 94.1 t -68.34 -33.26 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 t -80.29 -40.18 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -32.2 67.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 0.0 111.042 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.29 -31.67 54.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.381 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 82' ' ' GLU . 43.8 mm -66.39 -43.24 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.519 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 6.1 t30 -59.31 -40.46 86.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.671 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.0 mt -75.84 -51.92 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.93 0.395 . . . . 0.0 111.718 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.29 -28.21 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.47 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.9 pt20 -80.61 -54.21 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 111.62 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.516 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 30.8 mtpp -67.83 -7.69 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.7 mm? -103.04 -41.27 6.16 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.438 HD21 ' HD2' ' A' ' 74' ' ' TYR . 1.7 p-10 -124.89 -51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -177.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.438 ' HD2' HD21 ' A' ' 73' ' ' ASN . 66.1 m-85 -138.06 63.42 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.603 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.9 ptm -51.31 -17.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.991 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -80.78 -51.15 8.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.84 -49.99 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.929 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.43 -30.86 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.749 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 3.2 t-20 -52.8 -35.89 57.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.05 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.636 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -71.93 -46.81 56.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.106 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' HB3' HG22 ' A' ' 66' ' ' ILE . 12.1 pt-20 -54.48 -26.23 30.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.675 0.274 . . . . 0.0 111.737 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 11.2 mm-40 -62.06 -35.66 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.654 ' HB2' ' HZ1' ' A' ' 84' ' ' LYS . 5.0 ttmp? -56.89 -27.89 61.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.734 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -50.82 -34.79 29.13 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.541 ' HZ3' ' HB2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.52 -29.17 52.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -60.77 -28.63 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.422 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.64 -53.03 43.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.441 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.63 -16.96 62.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.8 mtpp -82.31 -25.33 34.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.05 -29.63 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.447 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 78.6 p -60.51 -39.48 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.0 -31.04 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.026 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -70.46 -37.74 74.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 16.0 ptt180 -82.39 -29.14 31.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.644 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.46 -53.27 17.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.0 -44.72 68.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 62' ' ' VAL . 10.0 tt -56.6 -33.4 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.57 HD11 HD23 ' A' ' 52' ' ' LEU . 98.0 mt -83.51 -58.48 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.72 -25.1 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.5 m -54.59 -34.25 61.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.74 -44.02 2.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.938 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.37 -54.77 39.53 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 111.441 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.7 10.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.829 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -122.12 -24.64 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.59 0.233 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.9 pt -90.92 165.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.304 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -84.26 157.4 21.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.89 -31.98 72.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.18 -27.66 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 40' ' ' LEU . 47.4 tp -59.76 -31.07 69.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HG2' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mtmt -70.4 -48.15 57.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.892 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -65.41 -34.96 79.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.58 0.229 . . . . 0.0 111.448 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -62.42 -55.63 25.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.74 0.305 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HZ3' HG12 ' A' ' 35' ' ' ILE . 31.1 mmtp -58.2 -24.76 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -70.94 -36.46 72.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.46 -51.73 8.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.582 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.42 -53.0 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 30' ' ' LEU . 2.4 mm? -98.25 90.72 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -91.35 -50.85 5.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 111.346 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.46 -12.72 23.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -82.73 -23.8 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 45.48 68.64 0.55 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.558 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.577 HG12 ' HZ3' ' A' ' 26' ' ' LYS . 2.1 tp -49.37 153.81 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HB2' ' OG1' ' A' ' 39' ' ' THR . . . -81.41 139.38 35.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 111.546 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' NH1' ' HG2' ' A' ' 23' ' ' LYS . 22.3 tpp180 -66.99 -49.92 63.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.403 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -61.22 -28.9 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.447 HG23 ' HG3' ' A' ' 47' ' ' GLU . 11.6 m -59.63 -27.44 66.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.521 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 HD21 HD22 ' A' ' 22' ' ' LEU . 81.0 mt -57.2 -7.48 0.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 111.205 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG11 HH21 ' A' ' 45' ' ' ARG . 3.5 m -115.38 14.34 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.595 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.11 -37.24 4.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.446 HH21 HG11 ' A' ' 42' ' ' VAL . 34.5 ptt180 -80.28 -63.13 1.48 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.3 m -84.95 -58.31 2.75 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 -175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.595 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 4.4 mm-40 -70.22 -59.65 2.76 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -173.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -52.94 -38.0 61.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -64.7 -55.18 21.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.2 m-20 -68.29 -34.42 76.12 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -62.95 -58.31 7.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 10' ' ' LEU . 3.8 pp -54.45 -31.95 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.561 ' N ' HD11 ' A' ' 52' ' ' LEU . 96.1 mt -53.85 -34.88 26.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.438 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -69.97 -27.26 64.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.444 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -70.58 -58.45 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.8 -35.3 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.13 -175.6 23.13 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.132 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.48 -70.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.72 0.295 . . . . 0.0 111.555 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.1 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.1 m -66.79 -50.51 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.562 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -71.09 -42.79 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.577 HG11 HD21 ' A' ' 9' ' ' LEU . 68.7 t -59.55 -30.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.606 0.241 . . . . 0.0 111.603 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.5 p -79.99 -46.87 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.562 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 18.3 pttp -67.0 -33.92 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 0.0 111.204 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.02 -30.73 48.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.611 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 82' ' ' GLU . 23.6 mm -65.43 -40.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 17.6 m120 -67.25 -39.08 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.839 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.0 mt -75.41 -51.55 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.475 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -59.06 -36.31 74.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.396 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.665 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.8 pt20 -68.64 -56.31 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 111.793 -178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.531 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 4.6 tppp? -66.24 -8.08 22.45 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -103.04 -40.9 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -124.39 -50.91 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.44 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 53.2 m-85 -137.36 63.09 1.57 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.665 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 55.9 ttp -51.54 -19.92 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.719 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -81.19 -49.9 10.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.1 mt -66.99 -50.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.579 ' HA ' HD12 ' A' ' 81' ' ' LEU . . . -56.12 -30.96 62.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.561 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.4 t-20 -52.98 -32.59 47.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.957 0.408 . . . . 0.0 110.833 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.28 67.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.51 -45.24 60.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.031 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.525 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.9 pt-20 -54.69 -27.05 37.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.28 -37.07 80.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.724 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.612 ' HZ2' ' HB2' ' A' ' 84' ' ' LYS . 5.0 ttmp? -56.94 -28.83 62.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.65 -34.56 38.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.808 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -54.09 -39.51 66.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -77.56 -29.23 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.613 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.63 63.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.73 -50.04 56.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.703 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -72.63 -18.09 61.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.619 0.247 . . . . 0.0 111.444 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -76.89 -17.13 59.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.277 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.126 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.79 -29.55 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.081 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.427 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 47.7 t -60.87 -34.46 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.11 -29.93 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -72.7 -35.37 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.476 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.427 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 19.0 ptt180 -82.07 -45.12 15.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.57 -52.53 63.04 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.68 -49.47 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD21 HG11 ' A' ' 62' ' ' VAL . 9.8 tt -56.15 -33.54 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.585 HD12 HD21 ' A' ' 52' ' ' LEU . 87.0 mt -77.68 -58.44 3.26 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 4.0 pp -54.23 -24.43 18.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.836 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.429 HG23 HD11 ' A' ' 81' ' ' LEU . 83.5 m -60.1 -32.51 71.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -41.47 4.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.776 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD11 HD12 ' A' ' 17' ' ' ILE . 4.1 mm? -59.1 -35.99 74.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 111.196 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.34 -4.39 55.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.691 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -115.16 -6.38 12.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.462 HD12 HD11 ' A' ' 14' ' ' LEU . 48.8 pt -106.15 159.74 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -88.49 169.87 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.4 -35.47 77.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.76 -45.8 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.075 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.72 -28.58 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD22 ' HE3' ' A' ' 26' ' ' LYS . 9.7 tt -56.23 -40.75 74.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.12 -29.74 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.386 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -72.44 -42.54 64.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.431 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.86 -51.58 69.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.332 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HZ1' HD23 ' A' ' 48' ' ' LEU . 4.1 mptp? -60.56 -41.69 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.456 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.53 -27.16 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.744 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.74 -56.84 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -72.54 -52.65 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 0.0 111.606 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -98.35 92.28 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -90.41 -49.87 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.715 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.07 -1.11 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.767 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.625 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 70.6 m-85 -92.63 -24.85 18.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.244 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 41.88 68.27 0.48 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.833 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.1 mt -57.07 137.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.929 0.395 . . . . 0.0 111.036 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 129.33 41.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.125 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -67.67 -29.64 68.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.475 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -70.48 -39.45 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.559 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -67.56 -17.5 64.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.996 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 HD22 ' HE3' ' A' ' 26' ' ' LYS . 97.6 mt -47.06 -24.23 0.61 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.84 -56.38 21.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.41 14.16 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -59.37 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.468 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -58.15 -53.93 52.65 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.262 -178.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -81.58 -61.4 1.94 Allowed 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.1 p -82.85 -57.14 3.43 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -66.0 -60.18 3.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -174.064 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.589 HD23 ' HZ1' ' A' ' 26' ' ' LYS . 19.8 mt -58.78 -39.98 82.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.85 -56.31 22.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.528 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.0 m-20 -69.44 -34.64 74.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.27 -58.56 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.585 HD21 HD12 ' A' ' 10' ' ' LEU . 3.1 pp -55.75 -32.55 63.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.5 mt -56.25 -36.39 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 111.448 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -73.13 -27.52 61.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.626 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -72.68 -58.9 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.34 -35.47 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.03 -178.36 25.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.15 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.33 -69.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 111.524 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.84 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.086 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -55.19 -45.64 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 52' ' ' LEU . . . -69.71 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.515 HG11 HD21 ' A' ' 9' ' ' LEU . 65.7 t -58.13 -30.95 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 111.229 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.9 m -64.09 -55.02 25.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -71.32 -25.23 62.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.69 -30.59 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 82' ' ' GLU . 42.8 mm -68.25 -48.28 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.475 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -58.64 -38.11 77.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.761 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.82 -51.78 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.895 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.32 -42.73 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.167 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.7 pt20 -63.55 -54.03 42.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.927 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.8 mttp -67.54 -7.73 28.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -106.05 -41.39 5.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -125.17 -51.11 1.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -137.85 63.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.654 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.0 ptp -51.05 -19.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.767 0.317 . . . . 0.0 111.025 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -80.66 -48.61 12.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.67 -44.41 86.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.972 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.69 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -53.0 -32.77 48.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.0 66.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.463 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.429 HD11 HG23 ' A' ' 12' ' ' THR . 4.1 mm? -72.45 -45.97 57.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.938 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.488 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.9 pt-20 -55.54 -26.12 41.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.485 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.21 -33.22 72.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.6 ' HB2' ' HZ1' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -63.88 -29.79 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -52.19 -34.94 47.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.038 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -54.34 -54.36 41.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -28.9 69.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.467 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -52.57 -53.01 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.411 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -70.97 -19.45 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.344 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 30.3 mtpp -73.33 -15.43 61.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt -96.07 -4.36 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 78.6 mtp -96.31 10.86 36.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.0 p -131.15 161.45 32.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.304 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.865 179.828 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.832 0.348 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.88 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.081 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.607 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.3 m -62.93 -35.93 81.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.58 -30.34 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -73.35 -35.08 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.465 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.607 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 15.9 ptt180 -80.79 -44.22 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.775 0.321 . . . . 0.0 111.441 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 40.4 tt0 -62.88 -51.52 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.69 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.34 -49.68 68.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 HG12 ' A' ' 62' ' ' VAL . 10.1 tt -56.06 -43.56 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.624 HD13 HD23 ' A' ' 52' ' ' LEU . 85.4 mt -68.81 -61.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 pp -51.86 -23.86 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.05 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.6 m -55.13 -32.5 62.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 111.301 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.62 -35.22 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.135 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.24 -52.72 60.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.317 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.38 10.83 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.515 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -128.95 30.57 5.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.698 0.285 . . . . 0.0 111.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -140.08 154.76 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.992 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -64.78 168.6 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.292 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.43 -41.16 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.18 -42.68 99.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -75.32 -28.4 59.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.43 -44.49 80.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.71 -30.05 51.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.48 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -56.38 -54.36 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.554 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' NZ ' ' HG ' ' A' ' 48' ' ' LEU . 60.7 mttm -58.79 -30.34 67.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -72.68 -34.67 67.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.412 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -78.9 -52.22 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.512 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -63.19 -52.6 61.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HG ' ' HB ' ' A' ' 35' ' ' ILE . 1.8 mm? -98.03 91.12 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -90.9 -50.3 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -96.34 -15.95 21.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.9 m-85 -78.95 -23.82 44.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.368 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 44.77 64.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.525 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 18.3 tt -66.08 135.62 28.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.708 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HB1' HG23 ' A' ' 39' ' ' THR . . . -61.41 123.09 16.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.698 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.77 -24.35 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.143 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.8 p -64.05 -28.83 70.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.509 HG23 ' HB1' ' A' ' 36' ' ' ALA . 67.6 p -59.74 -18.02 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.706 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.83 -18.93 0.32 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.9 -42.29 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 m -142.63 14.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.46 -38.69 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.93 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.07 -55.06 39.63 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.293 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 12.6 ptm180 -81.46 -62.22 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.1 p -84.16 -58.63 2.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 -175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -70.08 -59.98 2.57 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -59.9 -34.76 73.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.59 -54.93 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' HA ' HD13 ' A' ' 53' ' ' ILE . 15.4 t70 -68.85 -34.9 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.52 -56.69 18.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 HD13 ' A' ' 10' ' ' LEU . 3.3 pp -54.56 -32.23 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 52' ' ' LEU . 86.2 mt -60.17 -31.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.065 0.459 . . . . 0.0 110.923 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -73.17 -27.26 61.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.06 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.4 p -80.76 -57.01 3.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.734 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.73 -35.41 3.22 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.12 -179.07 18.71 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.528 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.62 -70.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.87 73.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -67.34 -51.57 50.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -71.68 -44.02 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.568 HG12 HD22 ' A' ' 9' ' ' LEU . 76.9 t -58.89 -32.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 p -73.57 -50.55 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.292 . . . . 0.0 111.575 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.94 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.211 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.95 69.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.509 HG22 ' HB3' ' A' ' 82' ' ' GLU . 35.1 mm -65.02 -44.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.385 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.43 -38.19 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.789 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 50.1 mt -75.7 -52.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 111.7 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.98 -37.35 71.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.221 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.651 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -68.87 -55.31 11.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.973 0.416 . . . . 0.0 111.46 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 96.8 mttt -67.15 -7.61 24.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -108.44 -40.73 5.04 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.33 -50.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.491 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 39.9 m-85 -137.01 63.01 1.58 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.651 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 46.5 ttm -51.82 -21.17 2.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -81.14 -51.48 8.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.674 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.491 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 63.3 mt -65.38 -48.13 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.8 43.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.788 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -55.72 -39.23 70.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.33 66.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.382 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.473 HD21 ' HG ' ' A' ' 9' ' ' LEU . 59.4 tp -72.13 -43.46 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.982 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 66' ' ' ILE . 10.4 pt-20 -59.31 -25.83 64.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.384 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.587 ' HB3' ' HZ2' ' A' ' 84' ' ' LYS . 5.6 ttpm? -59.74 -28.25 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -50.65 -34.57 26.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.788 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -53.06 -38.07 62.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.766 0.317 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.62 -29.49 51.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.44 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.519 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -53.11 -55.1 26.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -69.54 -28.81 66.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.469 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -63.05 -23.6 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -109.18 -9.75 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.1 tpt -87.32 -24.11 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.5 t -59.42 143.36 49.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.259 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.499 -0.762 . . . . 0.0 111.052 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.81 71.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.786 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 53.4 m -59.32 -35.41 73.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.5 -30.13 61.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -68.53 -39.01 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.559 ' HD2' HD13 ' A' ' 53' ' ' ILE . 27.8 ptt180 -82.13 -33.39 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.52 -48.7 47.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.482 ' HA ' HD23 ' A' ' 11' ' ' LEU . 50.9 tpp -68.92 -49.5 57.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.847 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.37 -37.19 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.69 -52.72 9.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -61.87 -23.49 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.767 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.443 ' N ' HD22 ' A' ' 11' ' ' LEU . 54.9 m -54.98 -35.91 64.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.83 -37.77 4.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.199 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.58 HD11 ' HZ2' ' A' ' 26' ' ' LYS . 4.5 mm? -57.58 -45.17 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.81 0.305 . . . . 0.0 111.366 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.04 10.39 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.49 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -123.56 -18.98 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 22' ' ' LEU . 41.1 pt -93.97 159.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.317 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 p -78.15 169.36 18.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.293 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.51 -40.13 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.46 -44.66 93.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.777 0.323 . . . . 0.0 111.056 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.4 -28.3 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 40' ' ' LEU . 9.5 tt -55.56 -48.27 75.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.13 -32.72 73.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.143 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.64 -55.85 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HZ2' HD11 ' A' ' 14' ' ' LEU . 1.3 mppt? -60.7 -31.55 70.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -68.61 -33.75 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.9 -55.53 4.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.705 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -70.84 -51.81 24.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.789 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.7 mm? -96.94 90.78 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.7 p -91.48 -49.58 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.8 -10.25 29.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.604 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 77.4 m-85 -84.02 -25.49 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.101 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 41.09 68.41 0.43 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.104 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.409 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 20.8 mt -65.68 136.46 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 132.5 53.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.92 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -67.18 -20.32 65.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.443 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -73.16 -33.15 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.482 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.506 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 72.5 p -71.02 -17.85 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.748 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.579 HD22 HD22 ' A' ' 22' ' ' LEU . 85.9 mt -50.74 -17.64 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.017 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.26 -47.94 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -122.96 13.98 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.85 -30.32 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.426 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.5 p-10 -58.42 -54.61 45.09 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.519 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -81.0 -61.31 2.0 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.44 HG21 ' H ' ' A' ' 47' ' ' GLU . 2.6 t -82.29 -56.4 3.93 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -69.69 -60.47 2.29 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -174.266 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.58 HD22 ' HD2' ' A' ' 26' ' ' LYS . 42.4 mt -60.48 -51.32 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -52.36 -54.29 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.026 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.7 t70 -68.2 -34.94 77.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 33' ' ' PHE . 36.1 t60 -66.1 -56.91 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD13 ' N ' ' A' ' 53' ' ' ILE . 2.6 pp -50.46 -32.41 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.559 HD13 ' HD2' ' A' ' 6' ' ' ARG . 81.2 mt -55.99 -39.22 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.77 -27.28 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.576 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -68.25 -58.33 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.19 2.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.775 0.321 . . . . 0.0 111.687 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.79 -176.91 24.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.031 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -68.19 -69.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.14 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.858 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -66.21 -47.43 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.87 -46.25 58.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.99 -32.55 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 p -72.16 -55.17 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -23.17 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.397 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.84 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.7 mm -63.49 -43.76 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.475 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.93 -36.72 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.985 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -73.63 -51.21 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.682 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.81 -40.77 96.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.647 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -66.21 -58.82 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 40.0 ttmt -64.52 -7.68 11.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -99.15 -41.18 7.63 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -124.68 -51.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.457 ' HB3' HG22 ' A' ' 77' ' ' ILE . 90.8 m-85 -138.7 62.91 1.54 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.647 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.8 ptp -52.15 -12.07 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -80.91 -51.99 7.96 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.457 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.2 tt -71.89 -47.17 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.18 -30.93 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.507 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 50.0 t30 -52.98 -45.87 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -32.33 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.607 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.417 HD11 HG22 ' A' ' 12' ' ' THR . 57.7 tp -60.33 -34.93 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 8.1 pt-20 -58.02 -26.11 62.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -32.78 68.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.679 0.275 . . . . 0.0 111.227 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -53.08 -30.18 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.436 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.94 -34.87 66.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.111 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -54.87 -44.96 74.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.9 tp10 -76.72 -28.67 55.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.85 68.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.938 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.66 -46.34 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.8 ptt180 -73.2 -21.17 60.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.63 -13.15 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp -103.16 9.49 38.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.2 mmt -105.47 -11.23 16.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.7 p -73.76 134.38 43.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.986 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.91 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.94 -34.12 76.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.54 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 47.8 t -61.55 -40.56 95.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.37 -29.81 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.11 -35.79 71.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.323 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.54 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 30.5 ptt85 -82.1 -47.04 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 111.558 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' A' ' 45' ' ' ARG . 44.4 tt0 -61.9 -50.03 73.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.897 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.26 -49.48 69.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.81 -32.24 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 6' ' ' ARG . 3.9 mm? -80.73 -54.39 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -58.94 -27.36 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 p -63.65 -8.85 11.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.34 -37.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.573 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.78 -44.97 69.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.19 10.4 5.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.753 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -115.81 -26.5 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.621 0.248 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.55 HD11 HD22 ' A' ' 22' ' ' LEU . 38.6 pt -92.15 165.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -75.62 165.32 25.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.588 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' HA ' HD11 ' A' ' 22' ' ' LEU . 13.0 mm-40 -59.7 -44.18 93.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.65 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -35.64 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.439 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 50.1 mt-10 -76.56 -27.93 56.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.237 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 17' ' ' ILE . 76.6 mt -53.36 -49.1 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.554 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -69.38 -31.06 69.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 50.9 mtp180 -60.14 -47.03 87.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -71.77 -42.93 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HZ3' HG22 ' A' ' 35' ' ' ILE . 3.5 tppp? -59.39 -38.25 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -71.96 -29.14 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.328 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.07 -54.74 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.3 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB3' HD21 ' A' ' 30' ' ' LEU . . . -66.63 -51.28 57.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.227 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.1 mm? -96.9 91.42 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -90.68 -46.07 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.233 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -94.84 -16.99 22.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.296 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.547 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.3 m-85 -83.07 -25.18 32.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.581 0.229 . . . . 0.0 111.03 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 41.36 67.99 0.49 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.048 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.419 HG22 ' HZ3' ' A' ' 26' ' ' LYS . 25.6 mt -67.67 131.91 32.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 110.574 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.0 139.77 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.722 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -61.85 -28.68 69.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.482 HG23 ' HG3' ' A' ' 47' ' ' GLU . 29.1 m -57.92 -20.65 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.36 -10.83 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.802 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.73 -39.05 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 m -143.71 13.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.635 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -51.43 -37.68 49.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.366 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.4 p-10 -57.38 -54.1 50.61 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 28.9 ptt180 -81.07 -62.89 1.53 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.47 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.9 t -84.09 -58.05 2.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 117.639 2.459 . . . . 0.0 117.639 -175.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.635 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 7.3 mm-40 -70.51 -60.18 2.42 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 -173.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -58.4 -41.57 85.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.976 0.353 . . . . 0.0 111.72 -178.298 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.04 -54.72 42.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.47 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.2 t70 -68.16 -36.35 79.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.29 -57.62 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.7 pp -52.6 -32.06 39.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.513 ' N ' HD13 ' A' ' 52' ' ' LEU . 82.4 mt -56.12 -37.8 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.758 0.313 . . . . 0.0 111.411 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -74.64 -27.23 60.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.418 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -65.63 -57.45 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.723 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.63 2.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ILE . . . 150.89 -179.69 27.38 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.121 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 -70.21 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 111.307 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.75 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.988 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -63.51 -55.7 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -65.37 -47.32 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.35 -32.46 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 p -77.98 -51.73 9.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 15.1 pttp -61.47 -25.5 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.05 49.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.501 HG23 ' HB3' ' A' ' 82' ' ' GLU . 41.7 mm -70.06 -40.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.184 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -59.32 -40.45 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.521 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 62.5 mt -76.34 -51.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.741 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.79 -31.84 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -70.28 -58.03 4.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 27.1 ttpp -67.44 -7.81 28.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.1 mm? -104.16 -40.94 5.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -177.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -124.73 -51.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.442 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 25.9 m-85 -138.04 63.15 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.654 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.0 ptm -51.22 -19.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.63 0.253 . . . . 0.0 111.109 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -81.3 -51.47 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.516 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 72.5 mt -64.36 -46.03 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.855 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' HB1' HG21 ' A' ' 66' ' ' ILE . . . -53.64 -30.69 44.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.81 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.8 m120 -56.41 -43.09 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.875 0.369 . . . . 0.0 111.227 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.18 65.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.46 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.46 -43.98 65.63 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.501 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.4 pt-20 -56.07 -25.38 44.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.65 0.262 . . . . 0.0 111.28 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -56.81 -33.2 66.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.17 -30.03 61.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -53.49 -36.7 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -59.56 -37.23 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -76.4 -28.94 56.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.39 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.75 -54.96 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.671 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -69.07 -23.08 63.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.496 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -74.43 -42.81 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 mp -89.8 3.3 53.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.4 ttt -75.76 -21.15 57.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.7 p -126.41 134.8 50.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.799 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -30.01 71.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.531 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.1 m -61.25 -33.93 74.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.18 -30.32 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -73.12 -35.13 66.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.038 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 16.2 ptt180 -82.13 -38.86 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.14 -52.18 30.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.742 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.5 tpt -63.01 -48.85 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.6 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 66' ' ' ILE . 3.3 tm? -56.0 -46.26 78.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.273 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.33 -57.45 11.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.548 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.5 pp -60.31 -23.43 64.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.517 HG23 HD12 ' A' ' 81' ' ' LEU . 90.7 m -52.91 -26.14 13.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.75 0.31 . . . . 0.0 111.395 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.83 -42.49 1.43 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.973 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 17' ' ' ILE . 4.1 mm? -57.2 -45.56 83.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.8 10.62 4.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.526 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -130.79 16.17 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.048 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.513 HD12 ' HG ' ' A' ' 22' ' ' LEU . 44.6 pt -131.96 163.21 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 77.2 p -83.81 165.25 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.21 -43.52 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.404 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.5 -45.76 92.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.66 -28.56 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.616 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.513 ' HG ' HD12 ' A' ' 17' ' ' ILE . 3.6 tt -68.52 -37.86 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.1 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.73 -34.04 77.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -73.31 -48.94 30.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -56.36 -54.35 46.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.626 ' HE2' HD21 ' A' ' 48' ' ' LEU . 18.3 ttmt -54.52 -40.27 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -72.87 -24.32 60.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.52 -55.25 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.259 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.96 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.72 90.97 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.0 p -91.48 -48.56 6.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.816 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -93.17 -10.93 34.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.941 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.4 m-85 -79.43 -24.42 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.09 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 42.03 68.16 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.89 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 mt -76.69 128.28 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.705 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -50.36 132.34 24.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.779 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 35.8 ptt180 -66.9 -21.72 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.261 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -69.24 -28.91 66.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.342 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 36' ' ' ALA . 46.9 p -67.19 -17.8 64.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.952 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' ARG . 7.4 mp -46.02 -23.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.21 -54.03 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.652 0.263 . . . . 0.0 111.399 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.2 14.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.43 -30.91 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.478 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 6.2 p-10 -58.98 -54.52 46.19 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.097 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -81.02 -60.76 2.18 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -82.32 -57.41 3.38 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -69.48 -60.31 2.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -174.107 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.626 HD21 ' HE2' ' A' ' 26' ' ' LYS . 52.6 mt -60.48 -53.02 62.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.91 -54.37 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.71 -34.6 77.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -69.03 -56.76 6.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.0 pp -50.46 -32.42 17.92 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 52' ' ' LEU . 95.3 mt -55.67 -42.89 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 111.737 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.65 -27.42 68.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.543 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 t -69.85 -58.58 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.32 -35.28 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.16 -176.73 24.94 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.106 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -70.58 -69.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.84 74.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.743 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.18 -50.16 72.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.996 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.32 -41.81 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.92 -30.86 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.191 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.9 m -71.4 -56.02 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 16.4 pttp -61.31 -33.52 73.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.88 -30.93 48.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.456 HD13 HD22 ' A' ' 9' ' ' LEU . 48.3 mm -64.91 -45.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.274 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -66.3 -47.11 74.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.919 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.8 mt -62.44 -47.37 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.805 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -67.67 -46.26 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.4 pt20 -59.36 -55.32 36.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 111.78 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.25 -7.24 12.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.741 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -109.59 -40.46 4.85 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.12 -50.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' HE2' HG22 ' A' ' 17' ' ' ILE . 61.2 m-85 -137.3 63.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.663 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.26 -20.06 1.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.777 0.322 . . . . 0.0 111.038 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -81.06 -51.26 8.68 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.61 -50.0 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.882 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.29 64.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.978 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.8 t-20 -52.36 -36.0 52.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 111.316 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -32.79 65.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.863 0.363 . . . . 0.0 111.21 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.517 HD12 HG23 ' A' ' 12' ' ' THR . 3.8 mm? -72.67 -42.2 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.9 pt-20 -55.09 -25.91 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.98 -33.06 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.45 -29.34 64.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.307 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -51.64 -34.92 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.031 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.26 -38.69 74.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -77.08 -29.04 54.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.634 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.12 -28.64 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -54.53 -54.07 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.318 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.611 ' HB3' ' HZ2' ' A' ' 91' ' ' LYS . 9.0 mtpm? -79.45 -31.45 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.34 9.59 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.06 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 88.5 mmm -88.0 -24.61 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.1 t -114.37 152.05 32.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.053 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.2 t30 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.846 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.671 0.272 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -37.15 74.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.48 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 48.7 m -60.42 -28.03 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.65 -43.81 45.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.58 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.22 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' HG2' HG21 ' A' ' 62' ' ' VAL . 86.5 mtm180 -82.17 -57.88 3.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.503 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.0 tt0 -58.73 -52.88 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.14 -40.25 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.54 HD22 HD12 ' A' ' 66' ' ' ILE . 2.9 tm? -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.575 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.612 ' HG ' HD23 ' A' ' 52' ' ' LEU . 4.4 mm? -83.55 -55.75 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.52 -23.93 11.89 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.424 ' N ' HD11 ' A' ' 11' ' ' LEU . 5.9 p -67.8 -0.21 3.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 111.467 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.64 -42.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.318 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.44 -46.75 88.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -74.69 -5.5 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.41 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -110.47 16.42 21.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.485 HD11 HD23 ' A' ' 22' ' ' LEU . 45.5 pt -135.17 169.49 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.19 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.2 p -89.25 174.8 7.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.524 ' HA ' HD11 ' A' ' 22' ' ' LEU . 2.6 mp0 -67.21 -39.08 86.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.463 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 11.3 pt-20 -58.43 -34.4 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.95 -28.64 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.611 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 19' ' ' GLU . 98.2 mt -58.23 -49.55 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.616 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 20' ' ' GLU . 22.7 pttp -63.54 -29.37 70.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.704 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -73.13 -37.85 66.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.688 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -71.22 -47.04 59.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HZ3' HD13 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -64.66 -32.47 74.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.331 -179.595 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -71.83 -30.66 65.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.751 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -79.84 -54.66 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.601 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -69.35 -52.65 25.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD22 ' HB1' ' A' ' 29' ' ' ALA . 1.8 mm? -97.37 90.44 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -91.72 -50.82 5.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -96.85 -15.06 21.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.449 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -77.81 -23.82 48.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.041 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 45.49 67.7 0.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.8 tt -66.19 142.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' HG21 ' A' ' 39' ' ' THR . . . -68.99 122.44 18.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.564 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' HA ' HD13 ' A' ' 40' ' ' LEU . 38.5 ptt180 -67.27 -25.25 65.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.403 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -65.73 -28.88 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.498 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.593 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.4 p -66.65 -18.22 65.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 37' ' ' ARG . 9.3 mp -49.74 -17.59 0.36 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -57.33 -40.84 78.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.91 14.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.13 -30.23 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.516 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.6 p-10 -57.98 -54.35 47.91 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.033 -177.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 46' ' ' THR . 33.1 ptt180 -81.45 -61.48 1.93 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.465 HG22 ' HG3' ' A' ' 45' ' ' ARG . 77.3 p -82.85 -57.35 3.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -69.42 -59.78 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HG ' ' HB2' ' A' ' 43' ' ' ALA . 77.5 mt -56.94 -48.61 77.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.556 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.25 -55.72 19.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.814 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.93 -33.97 74.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -70.69 -58.32 3.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.612 HD23 ' HG ' ' A' ' 10' ' ' LEU . 4.0 pp -57.46 -33.16 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.84 -39.7 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -59.4 -27.11 65.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.467 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.2 m -56.44 -58.36 8.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.03 -35.79 2.79 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.33 -179.04 32.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.01 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.623 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.92 -69.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 111.766 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.13 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -59.28 -44.85 92.44 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -72.22 -37.5 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.528 HG21 ' HG2' ' A' ' 6' ' ' ARG . 93.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.1 t -80.2 -39.13 29.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.5 pttp -71.77 -37.12 70.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 111.282 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.494 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.27 -30.99 52.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.54 HD12 HD22 ' A' ' 9' ' ' LEU . 47.0 mm -67.0 -39.49 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.371 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.628 ' HA ' HE21 ' A' ' 70' ' ' GLN . 6.8 t30 -67.25 -41.77 85.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.5 mt -69.9 -51.15 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -61.95 -43.31 99.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.653 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 25.9 pt20 -62.59 -56.92 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 57.4 tttm -66.78 -7.49 21.67 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -105.35 -41.05 5.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.77 -51.23 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.93 63.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.653 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 22.2 ptm -51.66 -18.75 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.652 0.263 . . . . 0.0 111.216 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -80.71 -50.42 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.236 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.09 -48.66 86.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.234 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.61 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.405 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -55.44 -35.13 65.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.349 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.5 68.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.779 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.3 -44.14 65.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.951 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.526 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.5 pt-20 -56.53 -27.81 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.89 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.07 -29.49 70.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' A' ' 82' ' ' GLU . 29.3 mtmm -51.95 -35.17 45.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.569 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -55.7 -37.84 68.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -77.2 -29.43 54.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.653 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.33 67.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.461 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -51.49 -52.61 45.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.616 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.387 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -71.8 -33.11 68.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.93 -6.81 41.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.175 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.0 ttp -114.1 -31.03 6.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.1 m -61.95 141.73 57.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.4 m120 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.893 -179.845 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.52 -38.32 89.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -63.04 -41.16 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.789 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -75.37 -29.86 60.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -71.59 -35.13 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.603 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.428 ' HD2' HD12 ' A' ' 53' ' ' ILE . 38.8 ptt180 -81.86 -39.39 23.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.443 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HG2' HD21 ' A' ' 11' ' ' LEU . 38.9 tt0 -71.72 -53.0 14.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.5 tpp -61.15 -50.02 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD22 HG11 ' A' ' 62' ' ' VAL . 10.1 tt -56.37 -32.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.57 -61.35 2.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.9 pp -53.18 -26.5 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 p -69.29 0.88 4.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.73 -26.03 1.82 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.38 -48.96 10.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.35 -3.64 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -107.15 12.34 28.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.485 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.494 HD12 HD21 ' A' ' 22' ' ' LEU . 35.9 pt -136.21 168.67 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 p -79.0 162.23 26.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.573 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -60.99 -34.37 74.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.312 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 11.7 pt-20 -60.93 -36.76 80.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.776 0.322 . . . . 0.0 110.718 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.97 -29.65 49.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 19' ' ' GLU . 89.7 mt -58.68 -48.8 79.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 60.7 pttt -68.35 -32.29 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.517 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -65.87 -52.0 53.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -54.92 -41.34 70.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.282 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -67.58 -26.69 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.3 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -73.01 -42.73 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.829 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -73.93 -53.85 9.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -62.67 -52.79 61.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 111.084 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.616 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -97.85 92.43 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -90.26 -49.15 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.695 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.31 2.97 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.789 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.616 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 56.1 m-85 -100.62 -25.04 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.208 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 41.56 68.55 0.44 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.108 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.3 140.63 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' HG22 ' A' ' 39' ' ' THR . . . -66.62 142.34 57.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.735 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -67.45 -35.52 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.479 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.8 p -60.08 -28.71 68.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.589 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.544 HG22 ' HB1' ' A' ' 36' ' ' ALA . 41.8 p -61.36 -23.01 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -51.31 -19.93 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.22 -38.81 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.435 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -139.66 14.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.03 0.443 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -47.5 -38.63 14.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.817 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.515 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.8 p-10 -58.58 -55.33 36.47 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -81.26 -61.85 1.83 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -83.1 -58.5 2.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 9.6 mm-40 -70.79 -60.68 2.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -174.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.51 -46.69 81.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -54.18 -54.55 38.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.61 -34.27 76.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -61.09 -57.92 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.2 pp -54.94 -32.55 61.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 52' ' ' LEU . 97.3 mt -61.25 -33.83 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 111.422 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -73.72 -27.3 61.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.237 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -70.38 -58.17 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.893 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.76 -35.44 2.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.92 -178.84 22.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.401 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.32 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.535 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.676 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 m -62.33 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.799 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.92 -43.26 65.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.633 HG11 HD22 ' A' ' 9' ' ' LEU . 75.0 t -58.76 -34.82 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.4 p -68.28 -53.04 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -22.87 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.344 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 82' ' ' GLU . 37.6 mm -72.18 -44.43 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -60.97 -38.94 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.912 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.446 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 58.2 mt -76.23 -51.8 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.02 -39.84 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.575 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.2 pt20 -63.06 -62.14 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 25.6 ttpp -65.59 -7.71 16.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -100.63 -41.53 6.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -125.47 -52.56 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' HB3' HG23 ' A' ' 77' ' ' ILE . 87.9 m-85 -139.14 62.57 1.53 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.575 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.96 -13.83 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -80.47 -51.61 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 74' ' ' TYR . 18.0 tt -70.61 -35.69 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.66 68.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -59.1 -34.88 72.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -40.11 66.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.823 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -41.7 67.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.015 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.51 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -56.0 -25.86 46.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.233 . . . . 0.0 111.468 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.25 -34.29 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.99 -29.79 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.74 -35.27 61.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -57.67 -48.05 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.662 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.6 tt0 -72.12 -28.96 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.8 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.68 -55.33 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.384 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptm180 -67.21 -23.05 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.196 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.85 -27.6 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 110.716 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.36 -30.0 63.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -87.86 1.94 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.791 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.5 m -78.12 141.53 38.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.916 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -29.81 67.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.71 -38.08 58.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.69 -35.65 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.505 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.426 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.9 ptt180 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.737 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.58 -53.32 14.11 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ptm -69.85 -47.3 63.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.566 HD23 HG12 ' A' ' 62' ' ' VAL . 10.2 tt -56.08 -32.65 64.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.483 HD12 HD23 ' A' ' 52' ' ' LEU . 88.7 mt -82.77 -54.74 4.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.0 pp -58.27 -24.52 59.69 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 p -72.75 1.03 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.491 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.54 -45.81 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.635 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD13 HD21 ' A' ' 22' ' ' LEU . 3.6 mm? -64.61 -54.22 35.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.879 0.371 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.85 -14.27 62.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.602 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -86.67 -32.08 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 111.163 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.521 HD11 HD23 ' A' ' 22' ' ' LEU . 46.1 pt -90.74 172.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.408 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 68.7 p -80.16 169.72 17.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' HA ' HD11 ' A' ' 22' ' ' LEU . 1.3 mp0 -62.62 -45.44 92.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.47 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.84 -31.4 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.004 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.35 -29.13 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 17' ' ' ILE . 96.5 mt -58.05 -42.55 85.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -67.7 -39.32 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.424 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.77 -44.33 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.415 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -64.81 -56.47 13.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.48 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -56.89 -36.72 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.758 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -72.46 -25.54 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -77.32 -55.16 5.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.512 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 -51.25 26.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.749 0.309 . . . . 0.0 111.347 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 19.1 mt -95.34 91.3 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -91.45 -49.33 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -93.51 -10.8 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.434 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.593 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 75.6 m-85 -81.27 -23.73 37.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.076 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 42.87 66.59 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 tt -62.65 143.63 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB1' HG22 ' A' ' 39' ' ' THR . . . -64.18 127.88 33.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.434 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -66.71 -34.11 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.301 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.1 p -57.84 -28.58 64.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.891 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.515 HG22 ' HB1' ' A' ' 36' ' ' ALA . 43.1 p -59.84 -18.44 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -50.38 -16.3 0.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.71 -52.23 66.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.2 m -132.42 14.9 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.682 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.605 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -42.0 -41.03 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.65 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.499 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.8 p-10 -57.21 -53.15 61.35 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -79.88 -64.44 1.19 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -84.53 -57.84 2.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 117.873 2.545 . . . . 0.0 117.873 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.71 -60.74 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -173.535 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.33 -44.28 84.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -58.42 -54.86 42.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HA ' HD13 ' A' ' 53' ' ' ILE . 16.5 t70 -67.88 -34.34 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -64.36 -57.63 8.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.9 pp -53.91 -32.97 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 52' ' ' LEU . 96.2 mt -56.92 -46.92 83.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -27.25 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.608 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -72.23 -58.94 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.35 -35.58 2.76 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.11 176.95 20.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.405 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.91 -69.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.61 76.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -65.02 -49.81 68.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HB2' HD12 ' A' ' 52' ' ' LEU . . . -71.52 -41.66 68.92 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.566 HG12 HD23 ' A' ' 9' ' ' LEU . 77.3 t -58.75 -31.31 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.715 0.293 . . . . 0.0 111.45 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.9 m -72.49 -56.51 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.473 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.82 -29.13 70.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.87 50.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 HG23 ' HB3' ' A' ' 82' ' ' GLU . 40.2 mm -67.0 -47.44 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.412 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.52 HD21 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -65.54 -34.33 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.511 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 81.4 mt -75.32 -41.85 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.727 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -71.46 -37.81 71.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.609 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.3 pt20 -65.0 -58.82 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 23.6 ttmm -66.74 -7.96 24.7 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -100.3 -42.05 6.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -126.06 -52.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' HG21 ' A' ' 77' ' ' ILE . 85.8 m-85 -138.83 62.8 1.53 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.609 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.7 ptm -52.21 -9.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.419 ' H ' ' C ' ' A' ' 74' ' ' TYR . 38.7 t-80 -80.94 -51.55 8.43 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 74' ' ' TYR . 15.9 tt -69.54 -36.06 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.85 71.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.54 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 49.6 t30 -57.46 -40.69 79.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.96 -32.35 65.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.968 0.413 . . . . 0.0 111.316 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD21 ' HG ' ' A' ' 9' ' ' LEU . 67.1 tp -71.93 -41.6 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.474 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 pt-20 -57.38 -25.84 60.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.575 0.226 . . . . 0.0 111.356 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.87 -32.94 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.774 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -59.13 -29.69 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.213 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -52.38 -35.44 51.53 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.18 -36.84 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -76.57 -29.11 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.67 -28.58 61.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.56 -53.59 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.491 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.07 -17.96 61.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -83.55 -21.35 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.3 mt -98.85 8.1 45.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.781 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.1 ttp -94.5 -29.47 14.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.793 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.0 p -117.41 139.14 51.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 p30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.977 179.802 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 m -64.66 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.37 -31.4 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.432 ' HH ' ' HA ' ' A' ' 85' ' ' LYS . 39.1 t80 -76.51 -38.85 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.543 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -75.76 -34.94 60.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.458 ' HG2' HD22 ' A' ' 11' ' ' LEU . 40.4 tt0 -71.78 -52.5 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.74 -43.86 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.822 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 HD21 ' HZ3' ' A' ' 84' ' ' LYS . 3.0 tm? -57.95 -31.93 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -83.58 -60.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD22 ' HG2' ' A' ' 7' ' ' GLU . 3.9 pp -56.31 -25.92 50.37 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 HG23 HD12 ' A' ' 81' ' ' LEU . 13.1 t -63.2 -5.65 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.78 -41.38 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.423 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.85 -47.51 84.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.34 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.33 9.44 7.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -129.19 23.51 5.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.598 0.237 . . . . 0.0 111.618 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.8 pt -134.81 153.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 0.0 111.332 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -67.58 166.28 15.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.5 -34.79 76.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 11.2 pt-20 -62.7 -46.03 90.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.035 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HG2' ' HG3' ' A' ' 20' ' ' GLU . 11.0 mm-40 -77.19 -28.24 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.708 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 HD23 HD23 ' A' ' 40' ' ' LEU . 43.7 tp -53.18 -46.55 68.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.393 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -73.56 -34.39 65.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.399 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.42 -38.18 79.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.88 -52.24 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.196 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HZ3' HG22 ' A' ' 35' ' ' ILE . 63.7 mttm -61.97 -30.87 71.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -66.73 -44.65 81.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.518 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.69 -54.92 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.647 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.95 65.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.768 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 7.5 mt -97.26 90.45 5.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.3 p -92.14 -49.99 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.533 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.12 -14.07 23.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.752 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 79.7 m-85 -77.82 -25.39 48.8 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.01 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 40.99 67.67 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.379 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.576 HG22 ' HZ3' ' A' ' 26' ' ' LYS . 1.7 mp -75.08 137.67 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.511 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB1' HG23 ' A' ' 39' ' ' THR . . . -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -66.9 -33.05 74.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -59.45 -28.57 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.715 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.521 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 41.3 p -66.73 -17.59 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD23 HD23 ' A' ' 22' ' ' LEU . 68.7 mt -50.7 -16.59 0.41 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.01 -38.97 84.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.703 0.287 . . . . 0.0 111.411 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.5 14.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.685 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.605 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -52.86 -30.04 31.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -58.24 -54.19 49.73 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.734 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -81.25 -60.77 2.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.435 HG21 ' H ' ' A' ' 47' ' ' GLU . 2.7 t -82.49 -56.61 3.78 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 117.438 2.384 . . . . 0.0 117.438 -175.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.605 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -67.02 -60.11 2.91 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD23 ' HZ2' ' A' ' 26' ' ' LYS . 17.6 mt -58.48 -50.69 72.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.53 -55.06 24.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.12 -34.72 76.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -74.57 -58.66 3.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.425 HD12 HD13 ' A' ' 53' ' ' ILE . 3.7 pp -66.06 -35.55 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.621 HD11 ' HA ' ' A' ' 58' ' ' ALA . 6.9 mm -60.59 -42.88 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.59 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.01 -26.56 60.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.594 0.235 . . . . 0.0 111.422 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.8 t -56.44 -58.03 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.55 -35.58 2.9 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.61 25.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.437 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.621 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -67.64 -69.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 m -64.46 -50.81 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.24 -39.06 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.1 t -57.94 -35.2 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 p -71.57 -54.6 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 111.755 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -23.08 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.88 75.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 82' ' ' GLU . 26.6 mm -69.09 -38.42 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -60.86 -42.49 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.518 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.4 mt -75.34 -44.33 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.28 -46.41 89.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.211 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.658 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -62.23 -57.52 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.9 tttm -65.23 -8.06 15.8 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -99.21 -42.09 7.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.88 -52.03 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.476 ' HB3' HG22 ' A' ' 77' ' ' ILE . 52.7 m-85 -138.55 63.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.658 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 58.2 ttp -52.22 -12.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.619 0.247 . . . . 0.0 111.535 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -80.57 -51.83 8.3 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.476 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.6 tt -71.59 -38.2 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.182 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 3.4 t-20 -56.38 -40.66 74.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.93 -32.31 65.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.507 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 HG23 ' A' ' 12' ' ' THR . 55.2 mt -70.04 -46.2 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.049 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.497 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.0 pt-20 -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.553 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -56.81 -33.17 66.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.392 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.567 ' HZ1' ' HB3' ' A' ' 84' ' ' LYS . 6.6 ttpm? -56.7 -29.5 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.326 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.432 ' HA ' ' HH ' ' A' ' 5' ' ' TYR . 87.3 tttt -51.91 -35.23 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.619 ' HB2' ' HZ1' ' A' ' 86' ' ' LYS . 10.4 mtmp? -55.23 -49.02 73.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 43.0 tt0 -71.54 -29.65 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.768 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.47 68.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.368 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.473 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -72.21 -21.59 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.332 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 27.6 mtpp -70.61 -34.54 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.02 1.96 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.7 ttp -91.66 -29.2 17.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.1 p -64.36 138.13 58.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.007 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.012 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.472 ' HB2' HH21 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -62.44 -29.41 70.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.962 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -55.26 -31.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.417 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.88 -31.85 73.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' HH ' ' HG2' ' A' ' 85' ' ' LYS . 60.7 t80 -77.58 -25.43 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.472 HH21 ' HB2' ' A' ' 2' ' ' GLU . 15.9 mmt180 -81.74 -54.43 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.471 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.513 ' HG3' ' HA ' ' A' ' 45' ' ' ARG . 37.9 tt0 -61.63 -53.19 59.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.342 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.19 -49.19 78.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.578 HD23 HG12 ' A' ' 62' ' ' VAL . 8.2 tt -55.99 -31.35 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 52' ' ' LEU . 76.2 mt -80.99 -60.48 2.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.23 -25.93 16.01 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' N ' HD13 ' A' ' 11' ' ' LEU . 7.4 p -63.48 -8.34 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.748 0.309 . . . . 0.0 111.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.83 -41.28 0.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.184 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.01 -43.13 86.52 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.927 0.394 . . . . 0.0 110.731 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.98 10.69 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.333 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.55 19.41 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 pt -130.96 164.23 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.359 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.8 m -92.04 155.34 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.44 -31.84 68.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.483 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -77.86 -28.41 50.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -54.27 -43.83 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.2 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -60.83 -31.4 70.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.268 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.56 -43.94 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.507 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.62 -50.35 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.5 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HE3' HD22 ' A' ' 40' ' ' LEU . 4.0 mptp? -60.49 -40.74 92.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.733 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -71.84 -38.57 70.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.828 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.93 -56.26 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.07 18.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.392 . . . . 0.0 111.266 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 35' ' ' ILE . 14.4 mt -97.71 90.86 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -91.65 -50.13 5.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.433 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -95.99 -7.12 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.785 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -84.55 -24.63 29.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.557 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 41.98 68.12 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.605 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.0 tt -60.63 147.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.141 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 123.49 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -67.19 -29.86 69.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.932 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -70.76 -37.16 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.485 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.597 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 75.7 p -66.25 -18.45 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.569 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD22 ' HE3' ' A' ' 26' ' ' LYS . 96.3 mt -52.1 -19.86 2.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.508 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.19 -61.57 2.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.045 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.22 14.14 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.601 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.51 -54.22 48.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.613 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.513 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 27.2 ptt180 -81.54 -62.91 1.51 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 m -84.18 -57.44 3.18 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.44 -59.64 2.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -173.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.587 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -53.63 -38.46 64.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.262 0.483 . . . . 0.0 112.066 -178.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -63.64 -55.1 26.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.892 0.331 . . . . 0.0 111.892 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.64 -33.83 75.74 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.86 -57.85 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 10' ' ' LEU . 4.2 pp -58.12 -32.6 68.29 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 52' ' ' LEU . 93.2 mt -58.23 -34.64 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.381 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -75.17 -27.46 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -69.98 -57.68 4.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.662 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.68 -35.29 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.23 -178.63 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.248 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.96 -69.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . . . -68.11 -37.21 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.801 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.3 m -61.17 -53.79 52.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB3' HD11 ' A' ' 52' ' ' LEU . . . -68.36 -47.89 66.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 9' ' ' LEU . 85.1 t -58.59 -34.47 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.6 m -66.0 -55.24 17.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.633 0.254 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.96 64.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -36.97 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.571 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.2 mm -64.83 -41.28 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.255 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -44.03 97.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.83 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -71.39 -51.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.79 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -54.92 -49.61 70.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.6 pt20 -58.73 -56.39 22.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 111.915 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 98.4 mttt -66.62 -7.63 21.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.9 mm? -105.71 -41.01 5.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -124.54 -51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.409 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 69.9 m-85 -137.69 62.42 1.58 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.655 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.2 ptt? -52.12 -18.67 1.55 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -80.81 -51.28 8.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.057 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.6 mt -65.57 -47.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.468 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.0 -30.93 49.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.516 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.0 t-20 -52.98 -37.15 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 -33.88 66.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.321 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -43.37 65.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.898 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 9.2 pt-20 -57.72 -26.21 61.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.317 . . . . 0.0 110.88 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.32 -33.15 75.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -60.29 -28.8 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.542 ' HG2' ' HH ' ' A' ' 5' ' ' TYR . 56.1 mtpt -51.41 -34.98 37.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.634 ' HB2' ' HZ1' ' A' ' 86' ' ' LYS . 4.7 ttmp? -50.77 -46.78 59.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 33.0 tt0 -77.67 -31.2 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.98 -28.6 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.498 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.25 -51.64 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.82 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 40.7 ptt180 -72.89 -13.15 61.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.526 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -78.66 -11.74 59.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.722 0.296 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.19 8.68 30.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.5 mmt -108.62 -7.06 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -125.75 164.36 20.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.919 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.51 -29.92 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -62.14 -30.0 70.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.46 -32.89 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -66.89 -38.69 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.458 HH11 HG13 ' A' ' 53' ' ' ILE . 38.4 ptt180 -81.0 -45.54 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -49.07 77.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.594 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.36 -49.43 66.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.884 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.434 HD22 HD12 ' A' ' 66' ' ' ILE . 22.7 tp -60.1 -31.46 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.691 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.99 -60.3 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 pp -54.23 -26.16 27.08 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.14 -3.15 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.236 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.82 -40.77 0.48 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.245 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -59.92 -48.29 82.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 110.703 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.14 9.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.52 17.69 9.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 22' ' ' LEU . 23.1 pt -131.14 151.6 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.373 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.7 p -63.96 172.95 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -68.15 -43.32 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.22 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.01 -46.55 87.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.31 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -70.25 -28.61 65.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' HD13 ' A' ' 40' ' ' LEU . 62.0 tp -58.58 -37.04 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.021 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.1 -33.56 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.5 -44.75 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.538 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.86 -57.02 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.235 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HB3' HG21 ' A' ' 35' ' ' ILE . 26.9 mtpp -58.8 -37.21 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -70.21 -25.83 63.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -79.3 -54.13 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -64.96 -51.5 61.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.1 mm? -92.99 90.23 6.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.823 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.2 p -91.93 -49.93 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.31 -16.56 21.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.039 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -77.99 -23.11 48.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 47.35 68.08 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' ' 26' ' ' LYS . 4.9 tp -54.99 158.2 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.98 127.83 47.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.96 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 14.2 ptm180 -66.71 -21.56 66.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.331 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.4 t -59.55 -32.3 70.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 111.041 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.53 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.9 p -77.33 -18.31 57.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.821 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD13 ' HG ' ' A' ' 22' ' ' LEU . 10.6 tp -43.53 -23.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.301 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.55 -54.57 45.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.533 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -125.7 14.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 111.373 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.619 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -51.78 -30.07 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.3 -55.05 39.99 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.452 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -81.28 -61.84 1.83 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -83.3 -57.15 3.38 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 -175.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.619 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -69.33 -59.75 2.79 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -173.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD21 ' HZ1' ' A' ' 26' ' ' LYS . 40.8 mt -54.31 -43.77 71.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.32 0.509 . . . . 0.0 111.269 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.14 -54.89 33.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.97 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.43 -34.1 76.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -72.28 -58.11 3.67 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 53' ' ' ILE . 4.0 pp -62.17 -33.08 73.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.13 -40.78 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.574 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -57.97 -26.56 62.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.613 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -56.23 -57.7 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.7 -35.68 2.86 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.41 177.48 27.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.193 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.39 -69.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.34 77.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.7 p -65.01 -56.29 14.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB3' HD11 ' A' ' 53' ' ' ILE . . . -59.16 -43.5 92.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ALA . 59.5 t -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -72.73 -48.22 40.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -71.17 -25.12 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.34 -31.13 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.434 HD12 HD22 ' A' ' 9' ' ' LEU . 35.7 mm -67.73 -41.48 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.95 -37.41 75.84 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.5 mt -73.05 -46.1 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.09 -32.17 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.677 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.7 pt20 -69.2 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 24.9 ttpp -64.42 -7.83 11.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -101.11 -41.28 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -124.67 -51.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -138.13 63.37 1.54 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.677 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.1 ptp -50.9 -19.72 1.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.608 0.242 . . . . 0.0 111.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -81.42 -43.83 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.133 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -71.15 -50.64 40.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.758 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.23 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 44.3 t-20 -53.0 -41.09 64.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.43 -42.39 65.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.967 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 5.5 pt-20 -51.55 -24.36 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.73 -33.12 54.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.669 0.271 . . . . 0.0 111.399 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.29 -30.27 59.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.199 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.44 -36.06 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.254 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -71.13 -34.9 71.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.4 -30.2 57.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.066 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -28.53 65.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.77 -54.51 27.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -73.76 -20.95 60.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -83.36 -9.14 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.5 mt -116.43 -0.13 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.873 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.5 ttt -91.76 -34.48 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.799 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.7 p -111.6 158.98 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.053 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.759 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.2 ttm . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -29.8 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.564 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 53.1 m -59.72 -35.48 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.83 -29.83 62.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -72.96 -38.95 66.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.745 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 22.0 ptt85 -81.3 -49.21 11.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.07 -53.13 59.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 tpt -67.27 -50.47 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.481 HD23 HD12 ' A' ' 66' ' ' ILE . 10.1 tt -56.42 -32.68 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.61 -56.77 4.06 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 pp -56.83 -23.99 47.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.7 m -60.39 -11.45 6.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.855 0.359 . . . . 0.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.11 -21.28 3.17 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.057 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 22' ' ' LEU . 4.1 mm? -74.76 -59.33 2.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.98 0.39 . . . . 0.0 111.18 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.28 7.31 11.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.473 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.92 19.91 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.528 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.65 158.37 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.252 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -59.39 163.62 3.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.38 -41.12 81.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.301 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.5 pt-20 -58.83 -45.02 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.154 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 44.8 mt-10 -77.58 -28.65 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.562 HD21 HD12 ' A' ' 40' ' ' LEU . 41.6 tp -60.95 -32.97 72.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -77.13 -34.69 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.14 -47.52 76.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.89 -45.08 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.264 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HE3' HD23 ' A' ' 48' ' ' LEU . 34.6 mtpt -64.08 -32.2 73.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -70.89 -46.29 62.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.834 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -68.67 -50.33 51.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.678 0.275 . . . . 0.0 111.508 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.12 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.276 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD11 ' HB ' ' A' ' 35' ' ' ILE . 11.0 mt -97.23 91.15 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.9 p -92.0 -49.74 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.848 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.64 9.51 40.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.964 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.558 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.8 m-85 -104.06 -24.02 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.646 0.26 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 43.96 29.17 0.3 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.591 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.601 ' HB ' HD11 ' A' ' 30' ' ' LEU . 68.9 mt -56.49 138.15 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.877 0.37 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.74 128.83 24.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 32.4 ptt180 -66.53 -44.01 83.63 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -50.94 -28.0 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.63 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.434 HG21 ' HG3' ' A' ' 47' ' ' GLU . 23.8 m -55.91 -18.18 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.956 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.562 HD12 HD21 ' A' ' 22' ' ' LEU . 2.8 pp -52.92 -11.21 0.21 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.4 -40.53 78.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.06 3.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.629 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.17 -29.65 46.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.187 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -57.99 -52.11 66.88 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -79.7 -64.07 1.27 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.437 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -83.61 -56.56 3.66 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 117.577 2.436 . . . . 0.0 117.577 -175.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.629 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.8 mm-40 -68.58 -60.22 2.57 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -173.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 43' ' ' ALA . 48.7 mt -59.89 -52.64 64.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.46 -54.48 26.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.33 -33.95 75.22 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -73.63 -57.83 3.72 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 53' ' ' ILE . 4.4 pp -50.63 -32.01 17.73 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.5 mt -52.8 -46.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 111.756 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.67 -27.16 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.742 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.4 t -62.26 -58.66 6.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.04 -35.56 2.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.89 -178.35 29.21 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.207 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.47 -69.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.28 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.014 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.2 m -61.57 -56.04 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.918 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -59.54 -43.54 93.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG13 HD22 ' A' ' 9' ' ' LEU . 98.0 t -62.23 -30.96 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 111.375 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.0 m -75.97 -50.05 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.429 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.1 pttp -65.1 -32.64 74.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.57 -31.12 56.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 82' ' ' GLU . 21.4 mm -67.3 -41.08 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.55 -42.07 95.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.617 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.6 mt -71.05 -43.49 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.89 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -70.92 -40.72 71.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.1 pt20 -62.87 -57.37 11.05 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 85.4 tttt -66.05 -7.8 19.51 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -101.76 -41.5 6.51 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 14.4 m120 -125.48 -51.36 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -137.48 64.29 1.53 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.663 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.1 ptt? -50.56 -24.85 3.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -81.45 -34.24 31.59 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.594 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 31.5 mt -70.61 -50.48 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 111.232 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 66' ' ' ILE . . . -57.38 -30.27 64.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.576 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.1 t-20 -52.65 -41.75 64.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.163 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.49 65.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.456 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.39 -45.9 65.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.75 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.3 pt-20 -58.32 -26.31 62.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.078 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.408 ' HG3' ' HE3' ' A' ' 86' ' ' LYS . 40.3 tt0 -59.27 -33.28 70.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.67 -28.64 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.333 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -51.03 -34.96 31.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.609 ' HZ2' ' HB2' ' A' ' 86' ' ' LYS . 10.3 mtmp? -57.64 -41.5 81.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.506 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -76.94 -29.03 55.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.78 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -58.68 -28.57 65.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -51.77 -55.33 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.581 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -68.88 -15.88 63.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.046 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.4 mtpp -83.18 -21.93 33.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.77 -33.67 16.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 45.4 ttm -75.04 -30.41 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.589 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.3 m -90.83 121.26 32.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.005 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.986 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' H1 ' ' HZ1' ' A' ' 91' ' ' LYS . 2.1 mpt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.86 -29.26 69.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 m -60.74 -41.38 95.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 8' ' ' MET . 40.7 mt-10 -75.43 -30.1 59.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.2 -36.75 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.474 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.47 HH21 ' HB2' ' A' ' 58' ' ' ALA . 5.9 ptp180 -81.96 -43.52 17.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 111.702 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.65 -52.95 62.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 mmt -70.33 -46.59 63.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.575 HD23 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -55.86 -31.79 63.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.814 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.421 HD12 HD23 ' A' ' 52' ' ' LEU . 59.6 mt -84.44 -59.52 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 pp -57.88 -23.8 54.73 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 9' ' ' LEU . 15.2 t -65.35 -5.27 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.673 0.273 . . . . 0.0 111.299 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.09 -44.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.577 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -78.98 -2.13 38.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -113.05 14.31 19.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.43 177.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.32 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 72.6 p -95.55 174.46 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.03 -45.47 73.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.449 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.67 -42.18 78.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -77.04 -28.43 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.73 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 40' ' ' LEU . 2.7 tt -62.01 -48.71 79.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.45 -30.91 70.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -62.36 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.33 -56.52 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HE2' HD12 ' A' ' 35' ' ' ILE . 9.6 mtpm? -55.59 -34.25 64.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.336 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -69.12 -35.69 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.34 -53.85 8.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.45 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB2' HD22 ' A' ' 30' ' ' LEU . . . -59.84 -51.54 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.389 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.9 mm? -97.06 90.91 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 ' HG1' ' HG3' ' A' ' 32' ' ' GLU . 57.8 p -91.69 -50.41 5.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.697 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HG3' ' HG1' ' A' ' 31' ' ' THR . 42.2 mt-10 -95.75 -16.62 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.261 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.83 -22.96 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 47.71 68.11 0.71 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.338 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.467 HD12 ' HE2' ' A' ' 26' ' ' LYS . 21.6 tt -70.03 140.33 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.721 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.97 124.25 23.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.643 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.81 -21.42 66.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -63.73 -28.34 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.5 p -56.45 -18.38 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.852 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 22' ' ' LEU . 5.0 mp -47.75 -20.24 0.27 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -53.68 -46.25 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.19 14.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -43.5 -43.57 5.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.33 -0.85 . . . . 0.0 113.025 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -57.13 -54.73 43.44 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.472 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -81.84 -63.34 1.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.2 m -85.28 -59.21 2.39 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 118.108 2.633 . . . . 0.0 118.108 -175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.63 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 44.9 mt-10 -71.17 -59.9 2.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -173.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.88 -33.68 72.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.192 0.451 . . . . 0.0 111.646 -178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.78 -54.77 26.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.8 t70 -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.681 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.431 ' ND1' HD13 ' A' ' 35' ' ' ILE . 54.6 t-80 -60.76 -58.23 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.542 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.5 pp -54.7 -32.73 59.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.542 ' N ' HD11 ' A' ' 52' ' ' LEU . 97.2 mt -56.44 -37.21 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.12 -27.33 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.344 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.1 m -65.66 -58.79 4.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.44 -35.08 2.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.805 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.22 -175.42 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.167 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' HB2' HH21 ' A' ' 6' ' ' ARG . . . -71.26 -69.92 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.299 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.65 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.643 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.9 m -57.8 -54.83 42.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.957 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 52' ' ' LEU . . . -67.77 -46.99 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.575 HG13 HD23 ' A' ' 9' ' ' LEU . 68.1 t -58.82 -31.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.675 0.274 . . . . 0.0 111.599 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.525 ' HG1' ' HZ3' ' A' ' 85' ' ' LYS . 87.4 m -76.42 -54.2 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.693 0.283 . . . . 0.0 111.462 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.4 pttp -63.04 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.28 -31.24 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.517 HG22 ' HB3' ' A' ' 82' ' ' GLU . 34.8 mm -72.51 -42.94 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.69 -37.51 86.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.417 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -75.62 -51.17 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.667 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.35 -36.48 78.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.644 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 14.0 pt20 -67.82 -59.47 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 39.8 ttmt -65.59 -7.79 16.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -103.79 -40.8 6.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.36 -50.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -137.67 63.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.644 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.9 ptt? -51.24 -21.29 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.191 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -81.04 -50.96 9.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.483 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.74 -49.92 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.85 -30.75 46.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.0 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -57.1 -35.31 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.197 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.89 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -70.48 -38.25 74.37 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.517 ' HB3' HG22 ' A' ' 66' ' ' ILE . 11.4 pt-20 -57.3 -25.82 59.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.666 0.27 . . . . 0.0 111.56 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.13 -32.98 68.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.2 -29.82 61.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HZ3' ' HG1' ' A' ' 63' ' ' THR . 63.5 tttp -52.08 -34.65 44.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 86' ' ' LYS . 1.5 tpmt? -51.85 -40.99 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -77.21 -28.94 53.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -53.21 -29.14 30.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.586 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.21 -53.47 57.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.312 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.42 -15.14 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.251 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HZ1' ' H1 ' ' A' ' 1' ' ' MET . 29.2 mtpp -73.88 -42.06 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.846 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.8 mt -84.09 2.52 38.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 54.2 ttp -105.7 -40.48 5.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 t -59.98 149.4 32.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.218 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.0 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.57 -29.42 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.478 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 55.3 m -61.17 -31.64 71.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -75.69 -29.78 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -71.82 -41.29 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.34 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 37.8 ptt180 -75.76 -35.37 60.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.63 -52.33 18.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.638 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.88 -49.92 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.4 -35.11 67.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.534 ' HG ' HD23 ' A' ' 52' ' ' LEU . 4.2 mm? -79.99 -56.03 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 12' ' ' THR . 4.5 pp -52.8 -23.99 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.43 ' N ' HD13 ' A' ' 11' ' ' LEU . 99.3 m -56.15 -34.95 66.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 111.393 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.26 -44.99 3.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.066 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD12 HD13 ' A' ' 22' ' ' LEU . 2.9 mm? -58.33 -44.12 88.55 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.861 0.331 . . . . 0.0 111.254 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.13 10.4 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.431 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -122.96 -21.76 5.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.2 pt -93.8 174.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.39 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p -91.18 -179.9 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.225 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.67 -39.93 80.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.65 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -70.48 -28.47 65.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.033 0.444 . . . . 0.0 110.305 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 HD12 ' A' ' 14' ' ' LEU . 30.7 tp -69.39 -32.55 71.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.489 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -77.76 -38.63 46.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.21 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -70.56 -35.18 72.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -54.72 -53.05 60.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.289 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HE3' ' HG ' ' A' ' 48' ' ' LEU . 63.1 mttp -68.44 -29.64 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.384 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.61 -37.94 77.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.542 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -79.53 -54.46 5.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.65 0.262 . . . . 0.0 111.423 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' HB3' HD13 ' A' ' 30' ' ' LEU . . . -65.62 -52.62 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.613 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 5.7 mp -98.12 90.67 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.433 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -92.15 -49.44 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.47 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.22 0.13 53.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.58 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.644 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 87.4 m-85 -87.33 -23.43 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 44.26 52.52 7.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.222 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.423 ' HB ' HD23 ' A' ' 30' ' ' LEU . 20.5 tt -59.16 145.72 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.009 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 39' ' ' THR . . . -70.45 125.93 28.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.897 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -67.1 -18.95 65.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.447 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -70.6 -28.53 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.177 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.485 HG22 ' HB3' ' A' ' 36' ' ' ALA . 62.5 p -62.17 -18.6 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 37' ' ' ARG . 10.1 mp -51.34 -15.08 0.34 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.73 -50.46 73.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -129.79 14.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.637 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.638 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.69 -39.16 7.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.174 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.65 -54.33 47.38 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.456 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' HG3' HG23 ' A' ' 46' ' ' THR . 14.7 ptp180 -80.69 -62.34 1.7 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.405 HG23 ' HG3' ' A' ' 45' ' ' ARG . 65.4 p -84.72 -59.5 2.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -175.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.638 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -71.42 -60.77 2.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -173.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.539 ' HG ' ' HE3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -59.22 -50.43 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.01 -55.13 30.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.28 -39.22 82.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.34 -54.65 33.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' HG ' ' A' ' 10' ' ' LEU . 4.4 pp -54.41 -32.57 57.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.657 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.661 HD13 ' HA ' ' A' ' 58' ' ' ALA . 7.1 mm -56.92 -41.94 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 111.183 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -57.49 -27.08 62.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.696 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 m -56.52 -58.25 8.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.09 -35.36 2.83 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.89 178.93 28.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.03 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.661 ' HA ' HD13 ' A' ' 53' ' ' ILE . . . -64.33 -69.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.692 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.43 74.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.953 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -66.37 -56.05 12.94 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.31 82.1 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.548 HG11 HD23 ' A' ' 9' ' ' LEU . 85.7 t -58.05 -30.87 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.684 0.278 . . . . 0.0 111.618 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.3 m -76.34 -51.04 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -23.15 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.32 75.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.325 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.557 HD11 HD21 ' A' ' 9' ' ' LEU . 48.8 mm -66.33 -38.28 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -64.11 -41.7 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 56.4 mt -74.75 -47.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.88 -40.79 96.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.634 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.9 pt20 -63.44 -59.58 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 22.3 ttmm -66.01 -8.07 20.85 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -177.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -100.2 -41.75 6.97 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.94 -50.8 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -136.68 62.78 1.59 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.634 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 17.2 ptp -51.66 -19.24 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.117 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -80.97 -50.27 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.063 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -63.03 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.64 -31.13 56.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.536 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.9 t-20 -55.03 -40.2 69.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.0 -32.59 65.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.471 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD21 ' HG ' ' A' ' 9' ' ' LEU . 50.0 tp -72.26 -44.48 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -55.98 -25.96 46.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.567 0.222 . . . . 0.0 111.399 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.66 -34.03 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.581 ' HZ1' ' HB3' ' A' ' 87' ' ' GLU . 14.3 tptp -57.3 -30.15 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 85' ' ' LYS . 5.7 tmmm? -57.38 -35.18 69.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.224 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.89 -50.43 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.581 ' HB3' ' HZ1' ' A' ' 84' ' ' LYS . 40.3 tt0 -73.57 -29.23 62.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.36 -28.16 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.397 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -51.21 -53.12 38.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.739 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -73.53 -20.22 60.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.453 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.29 -21.57 62.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.337 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp -101.12 10.11 41.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.421 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 64.4 mtt -100.9 -23.6 14.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.034 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.7 p -117.89 121.93 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.5 p30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.466 -0.778 . . . . 0.0 111.095 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -69.5 -30.87 68.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -60.9 -26.26 67.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.16 -29.82 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -86.57 -30.29 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.235 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.582 ' HG2' HG21 ' A' ' 62' ' ' VAL . 84.6 mtm180 -81.96 -60.08 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.526 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 11' ' ' LEU . 39.1 tt0 -55.05 -52.85 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.125 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -58.09 -49.99 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 HG11 ' A' ' 62' ' ' VAL . 8.8 tt -58.5 -31.9 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.775 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.2 mt -78.37 -60.84 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD22 ' HG2' ' A' ' 7' ' ' GLU . 4.3 pp -55.11 -25.06 29.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 -2.7 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.16 -31.3 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.713 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD12 HD23 ' A' ' 22' ' ' LEU . 3.9 mm? -72.54 -51.81 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.83 5.84 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.017 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.8 11.3 20.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.541 HD11 HD22 ' A' ' 22' ' ' LEU . 39.0 pt -135.23 -178.16 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 19' ' ' GLU . 13.8 m -86.73 158.64 19.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 18' ' ' THR . 10.9 pt-20 -57.88 -42.31 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.16 -29.16 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.767 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.97 -28.15 55.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 17' ' ' ILE . 96.2 mt -58.2 -49.46 76.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.595 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.06 -30.59 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.05 -43.55 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.891 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -67.54 -35.52 79.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.609 ' HD2' HG23 ' A' ' 35' ' ' ILE . 47.9 mmtm -69.69 -40.17 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.86 -29.81 69.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.693 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -79.24 -55.71 4.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.688 0.28 . . . . 0.0 111.555 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -51.43 23.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 111.331 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 7.2 mt -96.77 90.55 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -92.11 -49.62 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.546 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.27 -11.36 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.379 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -77.99 -23.87 48.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.223 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 42.29 67.86 0.54 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.609 HG23 ' HD2' ' A' ' 26' ' ' LYS . 10.2 tt -73.13 148.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.067 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.77 123.37 17.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.416 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -66.87 -27.67 67.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.377 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p -72.96 -40.76 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.68 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.426 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 70.5 p -58.85 -17.62 25.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.905 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -48.54 -21.17 0.52 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.843 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.2 -60.42 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.336 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 m -106.59 10.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.263 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.607 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -57.2 -29.19 63.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -57.12 -53.65 55.68 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.068 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -81.23 -61.92 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.5 p -83.32 -56.96 3.46 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -65.58 -60.37 2.99 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 11.2 mt -55.53 -49.85 71.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -51.79 -55.47 19.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.02 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.29 -36.49 77.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -74.79 -59.31 2.79 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD13 HD12 ' A' ' 53' ' ' ILE . 3.2 pp -63.03 -36.41 83.48 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.703 HD13 ' HA ' ' A' ' 58' ' ' ALA . 8.5 mm -61.12 -39.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.38 -26.99 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -56.55 -58.44 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.08 -35.68 2.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.15 178.3 26.7 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.703 ' HA ' HD13 ' A' ' 53' ' ' ILE . . . -67.12 -69.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.01 99.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.4 m -57.78 -50.47 73.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.78 -44.69 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.582 HG21 ' HG2' ' A' ' 6' ' ' ARG . 70.6 t -58.34 -32.38 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.2 p -73.91 -54.06 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.66 0.267 . . . . 0.0 111.686 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -24.16 67.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.095 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -31.59 66.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 82' ' ' GLU . 38.8 mm -73.88 -41.81 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.314 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.413 ' HA ' ' NE2' ' A' ' 70' ' ' GLN . 2.8 t-20 -65.36 -39.33 92.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.83 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.9 mt -74.0 -46.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.752 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -62.74 -45.51 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.77 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.694 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.0 pt20 -60.58 -55.6 31.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 112.03 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.523 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 14.4 mmmm -66.37 -7.37 18.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -104.38 -41.55 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -125.38 -51.87 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -138.33 63.57 1.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.694 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 5.2 ppp? -51.66 -13.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.665 0.269 . . . . 0.0 111.439 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -81.26 -49.2 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.796 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.5 tt -70.03 -37.09 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.95 -30.9 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.622 0.249 . . . . 0.0 111.377 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -54.23 -34.07 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.81 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.339 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.15 -46.48 56.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.813 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.492 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.9 pt-20 -57.51 -26.73 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.81 -38.12 85.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.22 -29.47 68.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.229 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.6 ' HZ3' ' HB3' ' A' ' 85' ' ' LYS . 9.0 mtpm? -52.14 -35.07 47.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.433 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HZ1' ' HB3' ' A' ' 86' ' ' LYS . 6.9 mtpm? -49.62 -52.29 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 7.7 tp10 -77.43 -28.84 52.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.3 -28.02 17.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.139 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 86' ' ' LYS . 11.8 pt-20 -51.43 -45.24 62.55 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.89 -21.76 60.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.733 0.301 . . . . 0.0 111.146 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -83.54 -20.87 33.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp -80.85 -22.87 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 70.7 mtm -96.66 13.73 27.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.8 m -119.25 127.86 53.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.82 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.36 -49.54 73.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -57.8 -38.0 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.408 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.5 -29.22 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.805 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -74.59 -35.0 62.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.653 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 33.0 ptt180 -77.54 -46.47 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.66 0.266 . . . . 0.0 111.621 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 42.6 tt0 -64.78 -51.88 59.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.96 -44.78 96.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD23 HD12 ' A' ' 66' ' ' ILE . 10.4 tt -67.11 -40.5 86.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.491 HD12 HD22 ' A' ' 52' ' ' LEU . 64.8 mt -75.46 -45.11 40.57 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD23 ' HG2' ' A' ' 7' ' ' GLU . 3.9 pp -60.49 -23.74 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.562 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.461 HG22 HD22 ' A' ' 81' ' ' LEU . 31.5 m -58.47 -16.69 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.72 -50.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.937 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.58 -43.47 84.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.888 0.375 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.82 9.87 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -134.14 22.97 3.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.352 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.0 pt -137.66 158.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.261 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -75.47 172.11 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.5 -42.87 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 10.4 pt-20 -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.105 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -77.56 -28.49 51.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD21 HD23 ' A' ' 40' ' ' LEU . 6.8 tt -54.86 -49.75 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.301 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 55.4 pttt -71.97 -29.3 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.176 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -58.87 -41.19 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.25 -55.85 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HE3' HD23 ' A' ' 40' ' ' LEU . 16.1 mtmm -63.79 -24.21 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.653 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.7 -46.05 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.296 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.99 -47.14 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.425 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 15.3 mt -98.53 90.87 4.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 ' HG1' ' HG3' ' A' ' 32' ' ' GLU . 81.6 p -92.12 -50.55 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.847 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HG3' ' HG1' ' A' ' 31' ' ' THR . 42.7 mt-10 -96.51 -7.4 34.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.885 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.531 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 73.5 m-85 -79.32 -23.68 43.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 42.95 68.3 0.52 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.364 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.406 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.4 tt -65.74 154.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.21 127.63 32.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 0.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -67.26 -20.21 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.8 p -72.99 -33.85 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.285 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.551 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 70.9 p -69.91 -18.32 63.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.716 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.568 HD23 HD21 ' A' ' 22' ' ' LEU . 85.6 mt -50.15 -19.2 0.71 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.104 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.26 -63.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.46 14.05 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.654 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -50.1 -37.43 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.393 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.54 -53.77 53.64 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.874 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -80.66 -62.81 1.56 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.4 p -85.21 -59.68 2.26 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.654 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 6.3 mm-40 -71.79 -60.85 2.02 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -58.1 -51.23 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -177.58 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HA ' HD12 ' A' ' 10' ' ' LEU . . . -53.9 -54.44 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.91 -34.05 75.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -71.51 -57.81 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.491 HD22 HD12 ' A' ' 10' ' ' LEU . 3.4 pp -55.2 -39.89 70.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' HB ' ' HA ' ' A' ' 58' ' ' ALA . 2.7 pp -70.28 -26.99 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 0.0 111.725 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' N ' HD12 ' A' ' 53' ' ' ILE . 28.1 tt0 -58.79 -27.16 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.745 0.307 . . . . 0.0 111.27 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -56.39 -57.96 10.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.94 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.41 -35.51 2.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.788 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.74 170.51 23.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.401 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.462 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . . . -70.53 -68.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.468 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.02 -32.37 46.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.111 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.0 m -74.98 -55.9 5.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -69.58 -43.81 72.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.8 t -58.05 -30.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.7 p -81.18 -50.08 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.7 pttp -64.33 -28.98 70.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.182 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.88 -30.6 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' A' ' 82' ' ' GLU . 32.8 mm -61.1 -43.18 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.436 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -61.58 -42.29 98.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.772 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -71.92 -51.54 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.25 -46.12 89.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.645 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.5 pt20 -57.99 -53.22 60.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 0.0 111.736 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.542 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 11.8 mmmm -68.73 -7.43 33.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.58 -41.37 5.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -124.98 -51.25 1.68 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -137.6 64.33 1.52 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.645 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 56.8 ttp -50.52 -20.62 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 0.0 111.11 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -80.66 -50.48 9.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.417 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.25 -44.22 97.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.89 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.99 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -52.86 -32.46 44.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.234 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.18 69.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.461 HD22 HG22 ' A' ' 12' ' ' THR . 96.0 mt -72.37 -47.17 51.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.895 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.531 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -54.84 -30.33 57.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 111.37 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.74 -38.07 85.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -61.38 -29.97 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -53.68 -35.57 61.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -56.96 -38.59 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.56 -29.09 56.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.81 -28.62 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -57.0 -54.62 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.33 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HA ' ' HE3' ' A' ' 93' ' ' MET . 16.8 ptm180 -68.72 -21.89 64.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.093 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -70.26 -47.68 60.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -82.12 5.89 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.412 ' HE3' ' HA ' ' A' ' 90' ' ' ARG . 53.1 ttm -76.23 -35.71 58.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.654 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.4 p -68.46 159.97 30.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.169 -0.919 . . . . 0.0 111.04 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.6 mtp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.18 -33.37 75.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.426 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 85.4 p -60.09 -25.41 65.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.348 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.97 -45.73 40.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.202 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.56 -29.75 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HG2' HG22 ' A' ' 62' ' ' VAL . 51.1 mtm180 -82.6 -56.84 3.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 0.0 111.912 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG2' HD22 ' A' ' 11' ' ' LEU . 43.4 tt0 -57.26 -53.2 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.13 -50.48 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.535 HD22 HG12 ' A' ' 62' ' ' VAL . 10.0 tt -57.5 -32.64 67.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.086 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' HG ' HD22 ' A' ' 52' ' ' LEU . 3.9 mm? -80.79 -55.66 4.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 HD22 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -55.32 -23.76 25.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.5 m -58.23 -22.63 52.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 -39.12 2.08 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.978 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.05 -48.51 79.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.212 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.15 4.02 21.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.528 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -118.45 24.09 11.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.685 0.279 . . . . 0.0 111.433 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.1 pt -136.96 148.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.235 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -63.95 -179.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -45.43 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.394 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.346 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.18 -28.02 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.696 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD21 HD11 ' A' ' 40' ' ' LEU . 45.6 tp -65.15 -37.33 87.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.03 -30.46 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.76 -52.22 52.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.377 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -54.87 -37.55 66.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HZ2' ' HG ' ' A' ' 48' ' ' LEU . 63.0 mmtt -66.79 -31.28 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.374 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -73.02 -50.87 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.63 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -69.26 -54.68 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -52.98 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.715 0.293 . . . . 0.0 111.538 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' A' ' 35' ' ' ILE . 12.7 mt -98.49 90.54 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -91.94 -50.54 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.488 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -96.81 -8.92 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.871 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.469 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 91.7 m-85 -79.2 -24.42 43.16 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.372 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 42.13 37.92 0.98 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.072 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.578 ' HB ' HD13 ' A' ' 30' ' ' LEU . 16.1 mt -56.46 137.29 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.007 0.432 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.49 145.69 51.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.762 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HD3' HD23 ' A' ' 40' ' ' LEU . 19.8 tpp180 -66.68 -31.01 71.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.081 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -62.52 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 47' ' ' GLU . 19.6 m -56.54 -20.7 21.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.719 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD11 HD21 ' A' ' 22' ' ' LEU . 4.3 mm? -57.4 -8.78 0.85 Allowed 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.58 -58.09 7.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.31 14.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.23 -40.81 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.442 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.63 -52.83 63.36 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -79.73 -64.13 1.26 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.503 ' HG1' ' H ' ' A' ' 47' ' ' GLU . 64.5 p -84.46 -58.33 2.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 -175.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.611 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -70.4 -60.67 2.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -173.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HG ' ' HZ2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -57.12 -52.51 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -177.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.72 -54.74 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.98 -40.16 83.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.55 -56.23 15.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 53' ' ' ILE . 4.4 pp -50.71 -31.87 17.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.644 HD11 ' HA ' ' A' ' 58' ' ' ALA . 6.7 mm -56.2 -40.25 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.771 0.32 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -58.51 -26.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.698 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -56.53 -59.08 5.5 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.72 -35.67 2.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.41 ' C ' HG21 ' A' ' 53' ' ' ILE . . . 157.22 -173.4 34.75 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.113 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.644 ' HA ' HD11 ' A' ' 53' ' ' ILE . . . -67.05 -69.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.05 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -55.62 -53.05 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.42 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.535 HG12 HD22 ' A' ' 9' ' ' LEU . 80.3 t -69.11 -32.87 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.6 p -74.04 -52.85 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -33.65 70.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.156 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.85 62.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.256 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.5 HD13 HD23 ' A' ' 9' ' ' LEU . 39.5 mm -66.23 -44.61 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.378 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.56 -36.48 83.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.808 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 76.9 mt -73.47 -52.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.704 0.287 . . . . 0.0 111.61 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.21 -36.88 81.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.161 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.656 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.6 pt20 -69.62 -55.15 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.393 . . . . 0.0 111.646 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 58.4 mtpt -66.86 -7.41 21.59 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.1 mm? -109.01 -40.55 4.96 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -124.16 -51.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -138.0 63.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.656 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.4 ptt? -51.05 -21.29 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -80.91 -51.24 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.8 mt -62.45 -46.21 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.725 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.506 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -54.09 -30.32 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.955 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -52.25 -32.69 38.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.67 68.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.148 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.56 -45.75 57.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.065 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.47 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -55.41 -32.32 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.619 0.247 . . . . 0.0 111.349 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.97 -33.04 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.587 ' HB2' ' HZ1' ' A' ' 84' ' ' LYS . 4.7 ttmp? -59.55 -30.02 68.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.41 -35.34 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -54.48 -41.43 69.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 42.7 tt0 -74.68 -29.99 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.24 -28.6 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.269 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.06 -54.52 34.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.22 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.49 -17.22 61.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -74.61 -24.94 58.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.67 5.3 49.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 52.1 ttp -82.36 -19.54 39.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.719 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.2 t -144.53 149.92 36.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.071 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.916 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.83 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -59.08 -35.89 74.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.38 -30.13 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.606 ' HH ' ' HA ' ' A' ' 85' ' ' LYS . 62.8 t80 -73.95 -39.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.7 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -81.63 -34.76 30.67 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.76 -46.2 69.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.52 ' HA ' HD22 ' A' ' 11' ' ' LEU . 16.3 tpt -70.44 -46.53 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.478 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD22 HG11 ' A' ' 62' ' ' VAL . 7.8 tt -56.31 -32.19 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.718 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -81.39 -58.26 3.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.52 HD22 ' HA ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -56.22 -23.95 38.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 ' N ' HD21 ' A' ' 11' ' ' LEU . 69.1 m -60.92 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.394 . . . . 0.0 110.755 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.8 -42.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.744 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.68 -44.6 77.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.667 0.27 . . . . 0.0 111.446 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.09 -3.21 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.55 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -113.83 19.35 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.375 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 pt -133.25 177.47 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.349 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -95.34 172.51 8.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.39 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.42 -47.46 67.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.751 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.21 -31.78 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.463 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -28.48 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.262 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.73 -49.14 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.419 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 57.7 mtmt -67.96 -29.46 68.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.845 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.63 -51.92 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -54.32 48.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.433 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HD3' HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.11 -24.36 67.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.752 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 51.7 t80 -63.7 -43.52 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.686 0.279 . . . . 0.0 111.221 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -75.97 -55.51 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.813 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.2 -53.36 50.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.669 0.271 . . . . 0.0 111.368 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.574 HD23 ' HB ' ' A' ' 35' ' ' ILE . 5.4 mp -98.5 90.72 4.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.235 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.1 p -91.49 -50.63 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 111.327 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.61 -8.37 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.5 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 97.4 m-85 -78.84 -23.42 45.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.509 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 44.3 68.53 0.53 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.669 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.574 ' HB ' HD23 ' A' ' 30' ' ' LEU . 8.8 tp -55.51 158.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 35' ' ' ILE . . . -85.78 119.55 26.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -67.01 -34.4 77.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.981 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.3 m -69.1 -34.38 75.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.298 . . . . 0.0 111.533 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.422 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 80.4 p -73.2 -17.72 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.853 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.5 mt -41.76 -27.81 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.26 -64.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.21 8.32 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.606 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.77 -29.09 59.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.31 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.518 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.8 p-10 -57.5 -54.11 50.5 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.308 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -81.06 -61.79 1.85 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.414 HG21 ' H ' ' A' ' 47' ' ' GLU . 2.8 t -83.11 -56.6 3.69 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -68.32 -60.77 2.2 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -173.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.527 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 57.6 mt -56.33 -44.11 79.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -55.15 -56.34 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.73 -33.78 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 11.1 t-80 -71.66 -57.44 4.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD12 HD11 ' A' ' 53' ' ' ILE . 3.6 pp -69.68 -32.73 71.52 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.5 mm -64.41 -48.4 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 27.1 pt20 -52.91 -26.79 16.01 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.534 ' HG ' ' H ' ' A' ' 56' ' ' ALA . 36.9 p -56.27 -57.15 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.534 ' H ' ' HG ' ' A' ' 55' ' ' SER . . . -122.78 -35.21 3.08 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.28 173.96 22.39 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.647 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.669 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -66.84 -69.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.26 77.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.4 p -63.35 -50.0 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 53' ' ' ILE . . . -72.04 -45.41 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 HD22 ' A' ' 9' ' ' LEU . 96.5 t -58.07 -30.72 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.547 HG22 ' HE3' ' A' ' 85' ' ' LYS . 40.5 p -77.23 -51.53 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -66.63 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.44 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.71 -30.89 45.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 111.016 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 82' ' ' GLU . 46.3 mm -64.26 -46.94 91.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.652 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.11 -38.56 79.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.109 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 68.8 mt -75.53 -52.12 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.48 -34.2 72.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.646 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.8 pt20 -72.4 -56.42 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.535 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 28.9 mtpp -65.85 -7.76 18.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.5 mm? -103.8 -41.27 5.96 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -177.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -124.71 -50.88 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -137.39 62.66 1.58 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.646 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 21.0 ptp -51.87 -19.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.685 0.279 . . . . 0.0 111.324 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -81.08 -51.27 8.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.228 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.2 -49.85 79.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.803 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -30.94 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.639 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.5 t30 -53.08 -36.43 60.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.397 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -32.29 65.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.418 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.9 mt -71.24 -46.77 60.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.125 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB3' HG23 ' A' ' 66' ' ' ILE . 12.6 pt-20 -55.18 -25.8 34.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.602 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.68 -33.78 70.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -65.13 -28.5 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.618 ' HB2' ' HZ1' ' A' ' 85' ' ' LYS . 5.1 ttmp? -51.26 -37.97 50.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.536 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.58 -36.36 69.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.32 -29.01 53.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.706 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.22 -28.49 69.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.23 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.53 -52.36 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.431 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -71.06 -23.39 62.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.388 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -66.54 -28.69 68.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -104.79 -7.24 19.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.098 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 51.8 ttm -109.64 7.03 24.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.774 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.1 t -64.13 143.23 58.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.922 179.854 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.1 -34.46 73.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -58.35 -42.33 86.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.48 -31.28 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.49 -43.23 93.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.662 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -81.29 -34.63 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 111.514 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.42 -47.0 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.043 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.423 ' HE3' ' HE2' ' A' ' 84' ' ' LYS . 26.9 ptm -73.14 -42.63 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 62' ' ' VAL . 6.3 tt -56.1 -32.03 63.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.643 0.258 . . . . 0.0 111.513 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.455 HD11 HD23 ' A' ' 52' ' ' LEU . 84.7 mt -82.13 -55.02 4.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -58.4 -25.31 61.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.963 -179.085 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.449 ' N ' HD21 ' A' ' 11' ' ' LEU . 10.8 p -68.29 -6.41 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.0 -41.98 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.581 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.36 -47.92 82.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.212 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.89 10.78 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.583 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -121.02 -11.58 8.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.488 HD12 HD22 ' A' ' 22' ' ' LEU . 29.0 pt -100.16 175.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 111.452 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 m -84.13 155.93 22.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.13 -41.77 75.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.287 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.18 -31.23 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.89 -28.01 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.488 HD22 HD12 ' A' ' 17' ' ' ILE . 90.1 mt -53.74 -49.32 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.46 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -65.19 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.61 -35.08 78.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.28 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -72.33 -54.84 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.681 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HE2' HD23 ' A' ' 48' ' ' LEU . 1.3 mptm? -62.32 -35.45 79.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.836 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.27 -30.51 69.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.498 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -79.39 -55.62 4.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.536 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' HB3' HD21 ' A' ' 30' ' ' LEU . . . -71.71 -52.15 19.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.194 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.576 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.76 91.53 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.2 p -90.42 -45.94 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.949 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -94.73 -15.38 23.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 58.5 m-85 -79.92 -24.7 40.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.295 -179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 41.48 68.03 0.49 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.042 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 mt -60.9 137.16 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.044 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 39' ' ' THR . . . -61.53 134.72 57.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.475 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -67.01 -29.76 69.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.386 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.3 t -67.44 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.791 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.589 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 67.3 p -59.4 -18.27 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD21 HD12 ' A' ' 22' ' ' LEU . 10.1 mp -55.31 -13.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.603 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.28 -43.52 83.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.81 13.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -50.44 -29.7 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.078 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.6 p-10 -57.93 -52.74 64.26 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.868 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -79.78 -64.17 1.25 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.9 m -83.72 -57.61 3.15 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.611 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.21 -59.9 3.85 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -173.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 80.7 mt -58.93 -46.21 88.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.39 -55.79 19.33 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -68.71 -33.56 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -70.3 -58.72 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.59 HD11 HD12 ' A' ' 53' ' ' ILE . 3.6 pp -64.76 -32.82 74.68 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.628 HD13 ' HA ' ' A' ' 58' ' ' ALA . 5.4 mm -60.15 -33.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.864 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -71.34 -27.1 63.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.6 t -58.23 -57.45 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.068 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.61 172.85 22.16 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.501 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.628 ' HA ' HD13 ' A' ' 53' ' ' ILE . . . -61.2 -69.83 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.487 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.02 73.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.146 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -47.25 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.35 -37.0 71.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 9' ' ' LEU . 94.1 t -68.34 -33.26 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 t -80.29 -40.18 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -32.2 67.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 0.0 111.042 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.29 -31.67 54.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.381 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 82' ' ' GLU . 43.8 mm -66.39 -43.24 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.519 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.401 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 6.1 t30 -59.31 -40.46 86.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.671 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.0 mt -75.84 -51.92 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.93 0.395 . . . . 0.0 111.718 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.29 -28.21 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.47 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.603 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.9 pt20 -80.61 -54.21 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 111.62 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.516 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 30.8 mtpp -67.83 -7.69 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.7 mm? -103.04 -41.27 6.16 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.438 HD21 ' HD2' ' A' ' 74' ' ' TYR . 1.7 p-10 -124.89 -51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -177.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.438 ' HD2' HD21 ' A' ' 73' ' ' ASN . 66.1 m-85 -138.06 63.42 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.603 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.9 ptm -51.31 -17.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.991 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -80.78 -51.15 8.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.84 -49.99 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.929 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.43 -30.86 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.749 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 3.2 t-20 -52.8 -35.89 57.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.05 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.636 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -71.93 -46.81 56.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.106 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' HB3' HG22 ' A' ' 66' ' ' ILE . 12.1 pt-20 -54.48 -26.23 30.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.675 0.274 . . . . 0.0 111.737 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 11.2 mm-40 -62.06 -35.66 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.654 ' HB2' ' HZ1' ' A' ' 84' ' ' LYS . 5.0 ttmp? -56.89 -27.89 61.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.734 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -50.82 -34.79 29.13 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.541 ' HZ3' ' HB2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.52 -29.17 52.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -60.77 -28.63 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.422 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.64 -53.03 43.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.441 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.63 -16.96 62.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.8 mtpp -82.31 -25.33 34.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.6 mt -94.96 1.98 55.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 45.8 ttp -81.08 -21.93 39.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.0 t -142.55 160.97 39.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.315 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.886 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.05 -29.63 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.447 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 78.6 p -60.51 -39.48 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.0 -31.04 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.026 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -70.46 -37.74 74.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 16.0 ptt180 -82.39 -29.14 31.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.644 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.46 -53.27 17.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.0 -44.72 68.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 62' ' ' VAL . 10.0 tt -56.6 -33.4 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD11 HD23 ' A' ' 52' ' ' LEU . 98.0 mt -83.51 -58.48 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 pp -51.72 -25.1 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.5 m -54.59 -34.25 61.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.74 -44.02 2.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.938 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.37 -54.77 39.53 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 111.441 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.7 10.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.829 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -122.12 -24.64 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.59 0.233 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.9 pt -90.92 165.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.304 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -84.26 157.4 21.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.89 -31.98 72.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.18 -27.66 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.414 HD22 HD21 ' A' ' 40' ' ' LEU . 47.4 tp -59.76 -31.07 69.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HG2' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mtmt -70.4 -48.15 57.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.892 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -65.41 -34.96 79.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.58 0.229 . . . . 0.0 111.448 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -62.42 -55.63 25.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.74 0.305 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HZ3' HG12 ' A' ' 35' ' ' ILE . 31.1 mmtp -58.2 -24.76 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -70.94 -36.46 72.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.46 -51.73 8.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.582 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.42 -53.0 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 30' ' ' LEU . 2.4 mm? -98.25 90.72 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -91.35 -50.85 5.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 111.346 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.46 -12.72 23.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -82.73 -23.8 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 45.48 68.64 0.55 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.558 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.577 HG12 ' HZ3' ' A' ' 26' ' ' LYS . 2.1 tp -49.37 153.81 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HB2' ' OG1' ' A' ' 39' ' ' THR . . . -81.41 139.38 35.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 111.546 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' NH1' ' HG2' ' A' ' 23' ' ' LYS . 22.3 tpp180 -66.99 -49.92 63.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.403 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -61.22 -28.9 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.447 HG23 ' HG3' ' A' ' 47' ' ' GLU . 11.6 m -59.63 -27.44 66.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.521 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD21 HD22 ' A' ' 22' ' ' LEU . 81.0 mt -57.2 -7.48 0.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 111.205 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG11 HH21 ' A' ' 45' ' ' ARG . 3.5 m -115.38 14.34 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.595 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.11 -37.24 4.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.446 HH21 HG11 ' A' ' 42' ' ' VAL . 34.5 ptt180 -80.28 -63.13 1.48 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.3 m -84.95 -58.31 2.75 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 -175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.595 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 4.4 mm-40 -70.22 -59.65 2.76 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -173.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -52.94 -38.0 61.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -64.7 -55.18 21.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.2 m-20 -68.29 -34.42 76.12 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -62.95 -58.31 7.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.57 HD23 HD11 ' A' ' 10' ' ' LEU . 3.8 pp -54.45 -31.95 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.561 ' N ' HD11 ' A' ' 52' ' ' LEU . 96.1 mt -53.85 -34.88 26.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.438 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -69.97 -27.26 64.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.444 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -70.58 -58.45 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.8 -35.3 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.13 -175.6 23.13 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.132 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.48 -70.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.72 0.295 . . . . 0.0 111.555 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.1 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.1 m -66.79 -50.51 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.562 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -71.09 -42.79 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.577 HG11 HD21 ' A' ' 9' ' ' LEU . 68.7 t -59.55 -30.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.606 0.241 . . . . 0.0 111.603 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.5 p -79.99 -46.87 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.562 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 18.3 pttp -67.0 -33.92 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 0.0 111.204 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.02 -30.73 48.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.611 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 82' ' ' GLU . 23.6 mm -65.43 -40.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 17.6 m120 -67.25 -39.08 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.839 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.0 mt -75.41 -51.55 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.475 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -59.06 -36.31 74.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.396 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.665 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.8 pt20 -68.64 -56.31 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 111.793 -178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.531 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 4.6 tppp? -66.24 -8.08 22.45 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -103.04 -40.9 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -124.39 -50.91 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.44 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 53.2 m-85 -137.36 63.09 1.57 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.665 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 55.9 ttp -51.54 -19.92 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.719 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -81.19 -49.9 10.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.1 mt -66.99 -50.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.579 ' HA ' HD12 ' A' ' 81' ' ' LEU . . . -56.12 -30.96 62.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.561 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.425 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.4 t-20 -52.98 -32.59 47.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.957 0.408 . . . . 0.0 110.833 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.28 67.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.51 -45.24 60.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.031 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.525 ' HB3' HG23 ' A' ' 66' ' ' ILE . 11.9 pt-20 -54.69 -27.05 37.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.28 -37.07 80.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.724 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.612 ' HZ2' ' HB2' ' A' ' 84' ' ' LYS . 5.0 ttmp? -56.94 -28.83 62.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.65 -34.56 38.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.808 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -54.09 -39.51 66.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -77.56 -29.23 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.613 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.63 63.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 93' ' ' MET . 46.5 mt-10 -50.73 -50.04 56.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.703 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -72.63 -18.09 61.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.619 0.247 . . . . 0.0 111.444 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -76.89 -17.13 59.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.277 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.04 9.41 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 89' ' ' GLU . 96.9 mmm -96.15 -12.12 25.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 t -149.65 151.14 33.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.861 179.797 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.79 -29.55 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.081 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.435 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 47.7 t -60.87 -34.46 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.11 -29.93 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -72.7 -35.37 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.476 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 19.0 ptt180 -82.07 -45.12 15.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.57 -52.53 63.04 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.68 -49.47 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 HG13 ' A' ' 62' ' ' VAL . 9.8 tt -56.15 -33.54 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.689 HD11 HD21 ' A' ' 52' ' ' LEU . 87.0 mt -77.68 -58.44 3.26 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 4.0 pp -54.23 -24.43 18.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.836 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.433 HG21 HD11 ' A' ' 81' ' ' LEU . 83.5 m -60.1 -32.51 71.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -41.47 4.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.776 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD13 HD11 ' A' ' 17' ' ' ILE . 4.1 mm? -59.1 -35.99 74.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 111.196 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.34 -4.39 55.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.691 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -115.16 -6.38 12.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.581 HD11 HD13 ' A' ' 14' ' ' LEU . 48.8 pt -106.15 159.74 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -88.49 169.87 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.4 -35.47 77.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.76 -45.8 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.075 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.72 -28.58 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 26' ' ' LYS . 9.7 tt -56.23 -40.75 74.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.12 -29.74 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.386 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -72.44 -42.54 64.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.431 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.86 -51.58 69.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.332 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HZ3' HD21 ' A' ' 48' ' ' LEU . 4.1 mptp? -60.56 -41.69 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.456 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.53 -27.16 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.744 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.74 -56.84 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -72.54 -52.65 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 0.0 111.606 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.641 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -98.35 92.28 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -90.41 -49.87 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.715 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.07 -1.11 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.767 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 70.6 m-85 -92.63 -24.85 18.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.244 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 41.88 68.27 0.48 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.833 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.1 mt -57.07 137.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.929 0.395 . . . . 0.0 111.036 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 129.33 41.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.125 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -67.67 -29.64 68.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.475 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -70.48 -39.45 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.559 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -67.56 -17.5 64.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.996 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD22 ' HE3' ' A' ' 26' ' ' LYS . 97.6 mt -47.06 -24.23 0.61 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.84 -56.38 21.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.41 14.16 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -59.37 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -58.15 -53.93 52.65 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.262 -178.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.7 ptm180 -81.58 -61.4 1.94 Allowed 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.401 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 79.1 p -82.85 -57.14 3.43 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -66.0 -60.18 3.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -174.064 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.6 HD21 ' HZ3' ' A' ' 26' ' ' LYS . 19.8 mt -58.78 -39.98 82.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.85 -56.31 22.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.0 m-20 -69.44 -34.64 74.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.27 -58.56 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.689 HD21 HD11 ' A' ' 10' ' ' LEU . 3.1 pp -55.75 -32.55 63.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.5 mt -56.25 -36.39 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 111.448 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -73.13 -27.52 61.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.626 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -72.68 -58.9 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.34 -35.47 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.03 -178.36 25.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.15 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.33 -69.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 111.524 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.84 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.086 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -55.19 -45.64 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.634 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -69.71 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.568 HG13 HD22 ' A' ' 9' ' ' LEU . 65.7 t -58.13 -30.95 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 111.229 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.9 m -64.09 -55.02 25.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -71.32 -25.23 62.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.69 -30.59 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 82' ' ' GLU . 42.8 mm -68.25 -48.28 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.475 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -58.64 -38.11 77.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.761 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.82 -51.78 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.895 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.32 -42.73 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.167 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.7 pt20 -63.55 -54.03 42.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.927 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.8 mttp -67.54 -7.73 28.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -106.05 -41.39 5.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -125.17 -51.11 1.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -137.85 63.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.0 ptp -51.05 -19.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.767 0.317 . . . . 0.0 111.025 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -80.66 -48.61 12.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.67 -44.41 86.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.972 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.69 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 54.6 t30 -53.0 -32.77 48.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.0 66.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.463 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 12' ' ' THR . 4.1 mm? -72.45 -45.97 57.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.938 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -55.54 -26.12 41.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.485 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.21 -33.22 72.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -63.88 -29.79 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -52.19 -34.94 47.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.038 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -54.34 -54.36 41.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -28.9 69.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.467 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -52.57 -53.01 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.411 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -70.97 -19.45 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.344 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 30.3 mtpp -73.33 -15.43 61.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.832 0.348 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.88 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.081 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.634 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.3 m -62.93 -35.93 81.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.58 -30.34 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -73.35 -35.08 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.465 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.634 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 15.9 ptt180 -80.79 -44.22 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.775 0.321 . . . . 0.0 111.441 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 40.4 tt0 -62.88 -51.52 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.69 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.34 -49.68 68.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.613 HD22 HG13 ' A' ' 62' ' ' VAL . 10.1 tt -56.06 -43.56 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 52' ' ' LEU . 85.4 mt -68.81 -61.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.2 pp -51.86 -23.86 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.05 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.6 m -55.13 -32.5 62.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 111.301 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.62 -35.22 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.135 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.24 -52.72 60.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.317 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.38 10.83 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.515 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -128.95 30.57 5.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.698 0.285 . . . . 0.0 111.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -140.08 154.76 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.992 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -64.78 168.6 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.292 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.43 -41.16 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.18 -42.68 99.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -75.32 -28.4 59.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.43 -44.49 80.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.71 -30.05 51.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.48 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -56.38 -54.36 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.554 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' NZ ' ' HG ' ' A' ' 48' ' ' LEU . 60.7 mttm -58.79 -30.34 67.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -72.68 -34.67 67.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.412 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -78.9 -52.22 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.512 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -63.19 -52.6 61.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HG ' ' HB ' ' A' ' 35' ' ' ILE . 1.8 mm? -98.03 91.12 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -90.9 -50.3 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -96.34 -15.95 21.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.414 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.9 m-85 -78.95 -23.82 44.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.368 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 44.77 64.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.546 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 18.3 tt -66.08 135.62 28.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.708 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -61.41 123.09 16.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.698 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.77 -24.35 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.143 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.8 p -64.05 -28.83 70.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 36' ' ' ALA . 67.6 p -59.74 -18.02 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.706 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.83 -18.93 0.32 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.9 -42.29 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 m -142.63 14.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.46 -38.69 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.93 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.07 -55.06 39.63 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.293 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 46' ' ' THR . 12.6 ptm180 -81.46 -62.22 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.414 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 71.1 p -84.16 -58.63 2.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 -175.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.663 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -70.08 -59.98 2.57 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -59.9 -34.76 73.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.59 -54.93 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.53 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.4 t70 -68.85 -34.9 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -59.52 -56.69 18.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 10' ' ' LEU . 3.3 pp -54.56 -32.23 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 52' ' ' LEU . 86.2 mt -60.17 -31.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.065 0.459 . . . . 0.0 110.923 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -73.17 -27.26 61.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.06 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.4 p -80.76 -57.01 3.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.734 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.73 -35.41 3.22 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.12 -179.07 18.71 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.528 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.62 -70.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.87 73.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -67.34 -51.57 50.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -71.68 -44.02 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.613 HG13 HD22 ' A' ' 9' ' ' LEU . 76.9 t -58.89 -32.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 p -73.57 -50.55 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.292 . . . . 0.0 111.575 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.94 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.211 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.95 69.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 82' ' ' GLU . 35.1 mm -65.02 -44.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.385 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.43 -38.19 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.789 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 50.1 mt -75.7 -52.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 111.7 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.98 -37.35 71.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.221 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.673 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -68.87 -55.31 11.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.973 0.416 . . . . 0.0 111.46 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 96.8 mttt -67.15 -7.61 24.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -108.44 -40.73 5.04 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.33 -50.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.518 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 39.9 m-85 -137.01 63.01 1.58 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.673 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 46.5 ttm -51.82 -21.17 2.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -81.14 -51.48 8.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.674 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.518 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 63.3 mt -65.38 -48.13 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.8 43.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.788 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 t30 -55.72 -39.23 70.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.33 66.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.382 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.485 HD21 ' HG ' ' A' ' 9' ' ' LEU . 59.4 tp -72.13 -43.46 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.982 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.538 ' HB3' HG21 ' A' ' 66' ' ' ILE . 10.4 pt-20 -59.31 -25.83 64.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.384 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.6 ttpm? -59.74 -28.25 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -50.65 -34.57 26.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.788 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -53.06 -38.07 62.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.766 0.317 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.62 -29.49 51.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.44 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.519 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -53.11 -55.1 26.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -69.54 -28.81 66.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -63.05 -23.6 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 179.896 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.81 71.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.786 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.425 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 53.4 m -59.32 -35.41 73.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.5 -30.13 61.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -68.53 -39.01 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.602 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.8 ptt180 -82.13 -33.39 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.52 -48.7 47.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.501 ' HA ' HD22 ' A' ' 11' ' ' LEU . 50.9 tpp -68.92 -49.5 57.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.847 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.45 HD22 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -56.37 -37.19 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 mm? -75.69 -52.72 9.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -61.87 -23.49 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.767 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.449 ' N ' HD23 ' A' ' 11' ' ' LEU . 54.9 m -54.98 -35.91 64.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.83 -37.77 4.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.199 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 10' ' ' LEU . 4.5 mm? -57.58 -45.17 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.81 0.305 . . . . 0.0 111.366 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.04 10.39 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.49 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -123.56 -18.98 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 22' ' ' LEU . 41.1 pt -93.97 159.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.317 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 p -78.15 169.36 18.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.293 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.51 -40.13 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.46 -44.66 93.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.777 0.323 . . . . 0.0 111.056 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.4 -28.3 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.636 HD21 HD22 ' A' ' 40' ' ' LEU . 9.5 tt -55.56 -48.27 75.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.13 -32.72 73.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.143 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.64 -55.85 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.622 ' HD2' HD21 ' A' ' 48' ' ' LEU . 1.3 mppt? -60.7 -31.55 70.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -68.61 -33.75 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.9 -55.53 4.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.705 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -70.84 -51.81 24.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.789 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 29' ' ' ALA . 1.7 mm? -96.94 90.78 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.7 p -91.48 -49.58 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.8 -10.25 29.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.604 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 77.4 m-85 -84.02 -25.49 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.101 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 41.09 68.41 0.43 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.104 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 20.8 mt -65.68 136.46 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 132.5 53.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.92 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -67.18 -20.32 65.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.443 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -73.16 -33.15 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.482 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.502 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 72.5 p -71.02 -17.85 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.748 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.636 HD22 HD21 ' A' ' 22' ' ' LEU . 85.9 mt -50.74 -17.64 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.017 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.26 -47.94 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -122.96 13.98 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.85 -30.32 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.426 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.5 p-10 -58.42 -54.61 45.09 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.519 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' H ' ' HG2' ' A' ' 45' ' ' ARG . 25.5 ptt180 -81.0 -61.31 2.0 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.6 t -82.29 -56.4 3.93 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -69.69 -60.47 2.29 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -174.266 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 26' ' ' LYS . 42.4 mt -60.48 -51.32 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -52.36 -54.29 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.026 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.552 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.7 t70 -68.2 -34.94 77.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 33' ' ' PHE . 36.1 t60 -66.1 -56.91 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.6 pp -50.46 -32.41 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.602 HD11 ' HD2' ' A' ' 6' ' ' ARG . 81.2 mt -55.99 -39.22 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.77 -27.28 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.576 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -68.25 -58.33 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.19 2.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.775 0.321 . . . . 0.0 111.687 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.79 -176.91 24.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.031 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -68.19 -69.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.14 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.858 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -66.21 -47.43 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.87 -46.25 58.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.45 HG13 HD22 ' A' ' 9' ' ' LEU . 94.1 t -57.99 -32.55 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 p -72.16 -55.17 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -23.17 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.397 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.84 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG22 ' OE1' ' A' ' 70' ' ' GLN . 28.7 mm -63.49 -43.76 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.93 -36.72 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.985 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 66.1 mt -73.63 -51.21 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.682 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.81 -40.77 96.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -66.21 -58.82 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 40.0 ttmt -64.52 -7.68 11.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.3 mm? -99.15 -41.18 7.63 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -124.68 -51.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.66 ' HB3' HG22 ' A' ' 77' ' ' ILE . 90.8 m-85 -138.7 62.91 1.54 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.661 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.8 ptp -52.15 -12.07 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -80.91 -51.99 7.96 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.66 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.2 tt -71.89 -47.17 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.486 ' N ' HG23 ' A' ' 77' ' ' ILE . . . -59.18 -30.93 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.507 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 50.0 t30 -52.98 -45.87 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -32.33 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.607 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.418 HD13 HG21 ' A' ' 12' ' ' THR . 57.7 tp -60.33 -34.93 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 8.1 pt-20 -58.02 -26.11 62.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -32.78 68.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.679 0.275 . . . . 0.0 111.227 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -53.08 -30.18 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.436 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.94 -34.87 66.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.111 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -54.87 -44.96 74.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.9 tp10 -76.72 -28.67 55.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.85 68.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.938 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.66 -46.34 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.8 ptt180 -73.2 -21.17 60.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.63 -13.15 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.94 -34.12 76.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.578 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 47.8 t -61.55 -40.56 95.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.37 -29.81 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.11 -35.79 71.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.323 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.578 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 30.5 ptt85 -82.1 -47.04 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 111.558 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 44.4 tt0 -61.9 -50.03 73.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.897 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.26 -49.48 69.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.81 -32.24 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 6' ' ' ARG . 3.9 mm? -80.73 -54.39 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -58.94 -27.36 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.848 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 p -63.65 -8.85 11.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.34 -37.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.573 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.78 -44.97 69.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.19 10.4 5.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.753 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -115.81 -26.5 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.621 0.248 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.602 HD11 HD23 ' A' ' 22' ' ' LEU . 38.6 pt -92.15 165.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 77.6 p -75.62 165.32 25.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.588 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' ' 22' ' ' LEU . 13.0 mm-40 -59.7 -44.18 93.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.65 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -35.64 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.439 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 50.1 mt-10 -76.56 -27.93 56.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.237 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 17' ' ' ILE . 76.6 mt -53.36 -49.1 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.554 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -69.38 -31.06 69.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 50.9 mtp180 -60.14 -47.03 87.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -71.77 -42.93 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.39 -38.25 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -71.96 -29.14 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.328 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.07 -54.74 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.3 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -66.63 -51.28 57.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.227 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.1 mm? -96.9 91.42 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -90.68 -46.07 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.233 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -94.84 -16.99 22.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.296 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.3 m-85 -83.07 -25.18 32.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.581 0.229 . . . . 0.0 111.03 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 41.36 67.99 0.49 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.048 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 25.6 mt -67.67 131.91 32.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 110.574 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.0 139.77 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.722 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -61.85 -28.68 69.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.486 HG23 ' HG3' ' A' ' 47' ' ' GLU . 29.1 m -57.92 -20.65 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.36 -10.83 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.802 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.73 -39.05 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 m -143.71 13.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.687 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -51.43 -37.68 49.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.366 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.4 p-10 -57.38 -54.1 50.61 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 46' ' ' THR . 28.9 ptt180 -81.07 -62.89 1.53 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.9 t -84.09 -58.05 2.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 117.639 2.459 . . . . 0.0 117.639 -175.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.687 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 7.3 mm-40 -70.51 -60.18 2.42 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 -173.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -58.4 -41.57 85.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.976 0.353 . . . . 0.0 111.72 -178.298 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.04 -54.72 42.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.563 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.2 t70 -68.16 -36.35 79.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.29 -57.62 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.7 pp -52.6 -32.06 39.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 50' ' ' ASP . 82.4 mt -56.12 -37.8 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.758 0.313 . . . . 0.0 111.411 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -74.64 -27.23 60.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.418 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -65.63 -57.45 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.723 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.63 2.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 53' ' ' ILE . . . 150.89 -179.69 27.38 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.121 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 -70.21 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 111.307 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.75 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.988 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -63.51 -55.7 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -65.37 -47.32 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.35 -32.46 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 p -77.98 -51.73 9.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 15.1 pttp -61.47 -25.5 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.05 49.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 82' ' ' GLU . 41.7 mm -70.06 -40.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.184 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 63.1 m-20 -59.32 -40.45 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.521 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 62.5 mt -76.34 -51.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.741 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.79 -31.84 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.678 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -70.28 -58.03 4.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 27.1 ttpp -67.44 -7.81 28.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.1 mm? -104.16 -40.94 5.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -177.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 41.6 t-20 -124.73 -51.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 25.9 m-85 -138.04 63.15 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.678 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.0 ptm -51.22 -19.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.63 0.253 . . . . 0.0 111.109 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -81.3 -51.47 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.516 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.462 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 72.5 mt -64.36 -46.03 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.855 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.69 44.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.81 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 92.2 m-20 -56.41 -43.09 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.875 0.369 . . . . 0.0 111.227 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.18 65.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.46 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.46 -43.98 65.63 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.4 pt-20 -56.07 -25.38 44.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.65 0.262 . . . . 0.0 111.28 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -56.81 -33.2 66.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.17 -30.03 61.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -53.49 -36.7 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -59.56 -37.23 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.7 tt0 -76.4 -28.94 56.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.39 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.75 -54.96 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.671 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 15.1 ptm180 -69.07 -23.08 63.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.496 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -74.43 -42.81 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.692 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -30.01 71.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.565 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.1 m -61.25 -33.93 74.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.18 -30.32 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -73.12 -35.13 66.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.038 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 16.2 ptt180 -82.13 -38.86 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.14 -52.18 30.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.742 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 13.5 tpt -63.01 -48.85 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.6 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 66' ' ' ILE . 3.3 tm? -56.0 -46.26 78.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.273 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 14' ' ' LEU . 2.9 mm? -62.33 -57.45 11.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.548 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.5 pp -60.31 -23.43 64.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.529 HG21 HD11 ' A' ' 81' ' ' LEU . 90.7 m -52.91 -26.14 13.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.75 0.31 . . . . 0.0 111.395 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -107.83 -42.49 1.43 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.973 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 HD11 ' A' ' 17' ' ' ILE . 4.1 mm? -57.2 -45.56 83.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.8 10.62 4.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.526 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -130.79 16.17 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.048 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.546 HD11 ' HG ' ' A' ' 22' ' ' LEU . 44.6 pt -131.96 163.21 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 77.2 p -83.81 165.25 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.21 -43.52 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.404 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.5 -45.76 92.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.66 -28.56 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.616 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 17' ' ' ILE . 3.6 tt -68.52 -37.86 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.1 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.73 -34.04 77.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -73.31 -48.94 30.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -56.36 -54.35 46.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.653 ' HE2' HD21 ' A' ' 48' ' ' LEU . 18.3 ttmt -54.52 -40.27 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -72.87 -24.32 60.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.52 -55.25 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.259 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.96 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.72 90.97 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.0 p -91.48 -48.56 6.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.816 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -93.17 -10.93 34.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.941 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.59 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.4 m-85 -79.43 -24.42 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.09 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 42.03 68.16 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.89 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 mt -76.69 128.28 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.705 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -50.36 132.34 24.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.779 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' A' ' 40' ' ' LEU . 35.8 ptt180 -66.9 -21.72 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.261 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -69.24 -28.91 66.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.342 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.498 HG23 ' HB3' ' A' ' 36' ' ' ALA . 46.9 p -67.19 -17.8 64.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.952 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 37' ' ' ARG . 7.4 mp -46.02 -23.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.21 -54.03 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.652 0.263 . . . . 0.0 111.399 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.2 14.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.641 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.43 -30.91 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 6.2 p-10 -58.98 -54.52 46.19 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.097 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -81.02 -60.76 2.18 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -82.32 -57.41 3.38 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.641 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -69.48 -60.31 2.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -174.107 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.653 HD21 ' HE2' ' A' ' 26' ' ' LYS . 52.6 mt -60.48 -53.02 62.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.91 -54.37 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.71 -34.6 77.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -69.03 -56.76 6.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.0 pp -50.46 -32.42 17.92 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 52' ' ' LEU . 95.3 mt -55.67 -42.89 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 111.737 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.65 -27.42 68.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.543 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 t -69.85 -58.58 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.32 -35.28 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.16 -176.73 24.94 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.106 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -70.58 -69.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.84 74.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.743 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.18 -50.16 72.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.996 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -70.32 -41.81 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 58' ' ' ALA . 71.5 t -59.92 -30.86 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.191 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.9 m -71.4 -56.02 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 16.4 pttp -61.31 -33.52 73.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.88 -30.93 48.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.476 HD11 HD21 ' A' ' 9' ' ' LEU . 48.3 mm -64.91 -45.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.274 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.5 m-20 -66.3 -47.11 74.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.919 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.8 mt -62.44 -47.37 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.805 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -67.67 -46.26 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.4 pt20 -59.36 -55.32 36.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 111.78 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.25 -7.24 12.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.741 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -109.59 -40.46 4.85 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.12 -50.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' HE2' HG22 ' A' ' 17' ' ' ILE . 61.2 m-85 -137.3 63.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.685 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.26 -20.06 1.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.777 0.322 . . . . 0.0 111.038 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -81.06 -51.26 8.68 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 59.0 mt -61.61 -50.0 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.882 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.29 64.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.978 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.8 t-20 -52.36 -36.0 52.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 111.316 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -32.79 65.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.863 0.363 . . . . 0.0 111.21 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 12' ' ' THR . 3.8 mm? -72.67 -42.2 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.9 pt-20 -55.09 -25.91 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.98 -33.06 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.45 -29.34 64.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.307 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -51.64 -34.92 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.031 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.26 -38.69 74.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -77.08 -29.04 54.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.634 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.12 -28.64 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -54.53 -54.07 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.318 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 9.0 mtpm? -79.45 -31.45 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.06 -179.849 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.671 0.272 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.27 -37.15 74.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.028 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.522 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 48.7 m -60.42 -28.03 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.65 -43.81 45.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.58 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.22 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 62' ' ' VAL . 86.5 mtm180 -82.17 -57.88 3.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.503 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.0 tt0 -58.73 -52.88 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.14 -40.25 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.586 HD21 HD11 ' A' ' 66' ' ' ILE . 2.9 tm? -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.575 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.612 ' HG ' HD21 ' A' ' 52' ' ' LEU . 4.4 mm? -83.55 -55.75 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.467 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.52 -23.93 11.89 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.435 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.9 p -67.8 -0.21 3.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 111.467 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.64 -42.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.318 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -61.44 -46.75 88.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -74.69 -5.5 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.41 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -110.47 16.42 21.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.54 HD11 HD23 ' A' ' 22' ' ' LEU . 45.5 pt -135.17 169.49 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.19 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.2 p -89.25 174.8 7.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.6 mp0 -67.21 -39.08 86.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.463 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 11.3 pt-20 -58.43 -34.4 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.95 -28.64 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.611 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 19' ' ' GLU . 98.2 mt -58.23 -49.55 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.616 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 20' ' ' GLU . 22.7 pttp -63.54 -29.37 70.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.704 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -73.13 -37.85 66.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.688 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -71.22 -47.04 59.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -64.66 -32.47 74.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.331 -179.595 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -71.83 -30.66 65.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.751 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -79.84 -54.66 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.601 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -69.35 -52.65 25.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.8 mm? -97.37 90.44 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -91.72 -50.82 5.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -96.85 -15.06 21.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.449 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -77.81 -23.82 48.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.041 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 45.49 67.7 0.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 14.8 tt -66.19 142.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -68.99 122.44 18.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.564 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.477 ' HA ' HD13 ' A' ' 40' ' ' LEU . 38.5 ptt180 -67.27 -25.25 65.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.403 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -65.73 -28.88 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.498 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.598 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.4 p -66.65 -18.22 65.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 37' ' ' ARG . 9.3 mp -49.74 -17.59 0.36 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -57.33 -40.84 78.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.91 14.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.741 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -55.13 -30.23 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.516 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.6 p-10 -57.98 -54.35 47.91 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.033 -177.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HG3' HG23 ' A' ' 46' ' ' THR . 33.1 ptt180 -81.45 -61.48 1.93 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 45' ' ' ARG . 77.3 p -82.85 -57.35 3.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -69.42 -59.78 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.036 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.741 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 77.5 mt -56.94 -48.61 77.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.25 -55.72 19.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.814 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.93 -33.97 74.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -70.69 -58.32 3.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.612 HD21 ' HG ' ' A' ' 10' ' ' LEU . 4.0 pp -57.46 -33.16 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.84 -39.7 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -59.4 -27.11 65.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.467 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.2 m -56.44 -58.36 8.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.03 -35.79 2.79 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.33 -179.04 32.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.01 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.75 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.92 -69.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 111.766 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.13 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -59.28 -44.85 92.44 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -72.22 -37.5 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 ' HG2' ' A' ' 6' ' ' ARG . 93.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.1 t -80.2 -39.13 29.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.5 pttp -71.77 -37.12 70.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 111.282 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.27 -30.99 52.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.586 HD11 HD21 ' A' ' 9' ' ' LEU . 47.0 mm -67.0 -39.49 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.371 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -67.25 -41.77 85.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.5 mt -69.9 -51.15 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -61.95 -43.31 99.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 2.5 pt20 -62.59 -56.92 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.565 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 57.4 tttm -66.78 -7.49 21.67 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -105.35 -41.05 5.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.77 -51.23 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.93 63.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.671 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 22.2 ptm -51.66 -18.75 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.652 0.263 . . . . 0.0 111.216 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -80.71 -50.42 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.236 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.09 -48.66 86.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.234 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.61 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.405 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -55.44 -35.13 65.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.349 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.5 68.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.779 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.3 -44.14 65.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.951 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.551 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.5 pt-20 -56.53 -27.81 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.89 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.07 -29.49 70.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' A' ' 82' ' ' GLU . 29.3 mtmm -51.95 -35.17 45.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.569 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -55.7 -37.84 68.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 38.3 tt0 -77.2 -29.43 54.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.653 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.33 67.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.461 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -51.49 -52.61 45.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.616 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.6 ptt180 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.387 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -71.8 -33.11 68.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.175 -179.79 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.52 -38.32 89.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -63.04 -41.16 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.789 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -75.37 -29.86 60.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -71.59 -35.13 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.603 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HD2' HD11 ' A' ' 53' ' ' ILE . 38.8 ptt180 -81.86 -39.39 23.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.443 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.9 tt0 -71.72 -53.0 14.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.5 tpp -61.15 -50.02 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.691 HD22 HG13 ' A' ' 62' ' ' VAL . 10.1 tt -56.37 -32.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 52' ' ' LEU . 81.5 mt -80.57 -61.35 2.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.9 pp -53.18 -26.5 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 p -69.29 0.88 4.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.73 -26.03 1.82 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD12 HD22 ' A' ' 22' ' ' LEU . 3.5 mm? -82.38 -48.96 10.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.35 -3.64 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -107.15 12.34 28.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.485 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.573 HD11 HD23 ' A' ' 22' ' ' LEU . 35.9 pt -136.21 168.67 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 p -79.0 162.23 26.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.573 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -60.99 -34.37 74.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.312 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 11.7 pt-20 -60.93 -36.76 80.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.776 0.322 . . . . 0.0 110.718 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.97 -29.65 49.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 19' ' ' GLU . 89.7 mt -58.68 -48.8 79.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 60.7 pttt -68.35 -32.29 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.517 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -65.87 -52.0 53.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -54.92 -41.34 70.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.282 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -67.58 -26.69 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.3 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -73.01 -42.73 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.829 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -73.93 -53.85 9.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -62.67 -52.79 61.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 111.084 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -97.85 92.43 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -90.26 -49.15 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.695 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.31 2.97 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.789 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.634 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 56.1 m-85 -100.62 -25.04 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.208 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 41.56 68.55 0.44 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.108 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.3 140.63 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -66.62 142.34 57.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.735 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -67.45 -35.52 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.479 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.8 p -60.08 -28.71 68.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.589 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 36' ' ' ALA . 41.8 p -61.36 -23.01 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -51.31 -19.93 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.22 -38.81 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.435 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -139.66 14.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.03 0.443 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -47.5 -38.63 14.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.817 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.8 p-10 -58.58 -55.33 36.47 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 12.5 ptp180 -81.26 -61.85 1.83 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -83.1 -58.5 2.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.681 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 9.6 mm-40 -70.79 -60.68 2.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -174.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.51 -46.69 81.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 45' ' ' ARG . . . -54.18 -54.55 38.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HA ' HD12 ' A' ' 53' ' ' ILE . 18.3 t70 -67.61 -34.27 76.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -61.09 -57.92 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.2 pp -54.94 -32.55 61.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 52' ' ' LEU . 97.3 mt -61.25 -33.83 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 111.422 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -73.72 -27.3 61.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.237 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -70.38 -58.17 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.893 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.76 -35.44 2.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.92 -178.84 22.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.401 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.32 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.535 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.74 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.676 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 m -62.33 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.799 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . . . -71.92 -43.26 65.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.691 HG13 HD22 ' A' ' 9' ' ' LEU . 75.0 t -58.76 -34.82 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 59' ' ' ALA . 29.4 p -68.28 -53.04 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -70.96 -22.87 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.344 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 82' ' ' GLU . 37.6 mm -72.18 -44.43 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -60.97 -38.94 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.912 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 58.2 mt -76.23 -51.8 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.02 -39.84 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.8 pt20 -63.06 -62.14 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 25.6 ttpp -65.59 -7.71 16.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -100.63 -41.53 6.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -125.47 -52.56 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.507 ' HB3' HG22 ' A' ' 77' ' ' ILE . 87.9 m-85 -139.14 62.57 1.53 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.588 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.96 -13.83 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -80.47 -51.61 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.507 HG22 ' HB3' ' A' ' 74' ' ' TYR . 18.0 tt -70.61 -35.69 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.66 68.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.4 m120 -59.1 -34.88 72.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -40.11 66.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.823 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -41.7 67.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.015 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -56.0 -25.86 46.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.233 . . . . 0.0 111.468 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.25 -34.29 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.99 -29.79 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.74 -35.27 61.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -57.67 -48.05 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.662 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.6 tt0 -72.12 -28.96 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.8 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.68 -55.33 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.384 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptm180 -67.21 -23.05 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.196 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.85 -27.6 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 110.716 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -69.85 -29.81 67.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.71 -38.08 58.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.69 -35.65 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.505 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.9 ptt180 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.737 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.58 -53.32 14.11 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ptm -69.85 -47.3 63.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.658 HD22 HG13 ' A' ' 62' ' ' VAL . 10.2 tt -56.08 -32.65 64.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD11 HD21 ' A' ' 52' ' ' LEU . 88.7 mt -82.77 -54.74 4.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.0 pp -58.27 -24.52 59.69 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 p -72.75 1.03 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.491 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.54 -45.81 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.635 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 HD22 ' A' ' 22' ' ' LEU . 3.6 mm? -64.61 -54.22 35.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.879 0.371 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.85 -14.27 62.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.602 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -86.67 -32.08 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 111.163 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.58 HD11 HD23 ' A' ' 22' ' ' LEU . 46.1 pt -90.74 172.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.408 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 68.7 p -80.16 169.72 17.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.3 mp0 -62.62 -45.44 92.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.47 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.84 -31.4 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.004 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.35 -29.13 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 17' ' ' ILE . 96.5 mt -58.05 -42.55 85.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -67.7 -39.32 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.424 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.77 -44.33 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.415 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -64.81 -56.47 13.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.48 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -56.89 -36.72 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.758 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -72.46 -25.54 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -77.32 -55.16 5.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.512 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 -51.25 26.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.749 0.309 . . . . 0.0 111.347 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 19.1 mt -95.34 91.3 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -91.45 -49.33 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -93.51 -10.8 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.434 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.61 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 75.6 m-85 -81.27 -23.73 37.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.076 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 42.87 66.59 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 tt -62.65 143.63 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -64.18 127.88 33.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.434 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' O ' HD13 ' A' ' 40' ' ' LEU . 35.6 ttp180 -66.71 -34.11 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.301 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.1 p -57.84 -28.58 64.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.891 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.563 HG23 ' HB3' ' A' ' 36' ' ' ALA . 43.1 p -59.84 -18.44 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 37' ' ' ARG . 6.3 mp -50.38 -16.3 0.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.71 -52.23 66.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.2 m -132.42 14.9 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.682 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -42.0 -41.03 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.65 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.8 p-10 -57.21 -53.15 61.35 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -79.88 -64.44 1.19 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -84.53 -57.84 2.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 117.873 2.545 . . . . 0.0 117.873 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.65 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.71 -60.74 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -173.535 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.33 -44.28 84.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -58.42 -54.86 42.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.5 t70 -67.88 -34.34 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -64.36 -57.63 8.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.9 pp -53.91 -32.97 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.2 mt -56.92 -46.92 83.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -27.25 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.608 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -72.23 -58.94 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.35 -35.58 2.76 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.11 176.95 20.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.405 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.91 -69.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.61 76.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -65.02 -49.81 68.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -71.52 -41.66 68.92 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 9' ' ' LEU . 77.3 t -58.75 -31.31 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.715 0.293 . . . . 0.0 111.45 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.9 m -72.49 -56.51 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.473 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.82 -29.13 70.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.87 50.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.488 HD11 HD21 ' A' ' 9' ' ' LEU . 40.2 mm -67.0 -47.44 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.412 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.54 -34.33 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.511 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 81.4 mt -75.32 -41.85 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.727 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -71.46 -37.81 71.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.9 pt20 -65.0 -58.82 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 23.6 ttmm -66.74 -7.96 24.7 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -100.3 -42.05 6.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -126.06 -52.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.494 ' HB3' HG22 ' A' ' 77' ' ' ILE . 85.8 m-85 -138.83 62.8 1.53 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.621 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.7 ptm -52.21 -9.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.94 -51.55 8.43 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.494 HG22 ' HB3' ' A' ' 74' ' ' TYR . 15.9 tt -69.54 -36.06 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.85 71.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.54 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 49.6 t30 -57.46 -40.69 79.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.96 -32.35 65.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.968 0.413 . . . . 0.0 111.316 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.477 HD21 ' HG ' ' A' ' 9' ' ' LEU . 67.1 tp -71.93 -41.6 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.474 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 pt-20 -57.38 -25.84 60.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.575 0.226 . . . . 0.0 111.356 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.87 -32.94 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.774 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -59.13 -29.69 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.213 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -52.38 -35.44 51.53 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.18 -36.84 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -76.57 -29.11 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.67 -28.58 61.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.56 -53.59 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.491 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.07 -17.96 61.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -83.55 -21.35 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.781 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 m -64.66 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.37 -31.4 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -76.51 -38.85 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.543 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -75.76 -34.94 60.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.491 ' HG2' HD23 ' A' ' 11' ' ' LEU . 40.4 tt0 -71.78 -52.5 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.74 -43.86 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.822 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 66' ' ' ILE . 3.0 tm? -57.95 -31.93 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -83.58 -60.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 7' ' ' GLU . 3.9 pp -56.31 -25.92 50.37 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.462 HG23 HD13 ' A' ' 81' ' ' LEU . 13.1 t -63.2 -5.65 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.78 -41.38 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.423 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.85 -47.51 84.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.34 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.33 9.44 7.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -129.19 23.51 5.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.598 0.237 . . . . 0.0 111.618 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.8 pt -134.81 153.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 0.0 111.332 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -67.58 166.28 15.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.5 -34.79 76.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 11.2 pt-20 -62.7 -46.03 90.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.035 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HG2' ' HG3' ' A' ' 20' ' ' GLU . 11.0 mm-40 -77.19 -28.24 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.708 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 40' ' ' LEU . 43.7 tp -53.18 -46.55 68.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.393 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -73.56 -34.39 65.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.399 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.42 -38.18 79.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.88 -52.24 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.196 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -61.97 -30.87 71.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -66.73 -44.65 81.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.518 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.69 -54.92 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.647 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.95 65.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.768 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.47 HD13 HD13 ' A' ' 35' ' ' ILE . 7.5 mt -97.26 90.45 5.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.3 p -92.14 -49.99 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.533 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.12 -14.07 23.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.752 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.443 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 79.7 m-85 -77.82 -25.39 48.8 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.01 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 40.99 67.67 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.379 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.47 HD13 HD13 ' A' ' 30' ' ' LEU . 1.7 mp -75.08 137.67 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.511 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -66.9 -33.05 74.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -59.45 -28.57 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.715 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.517 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 41.3 p -66.73 -17.59 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 22' ' ' LEU . 68.7 mt -50.7 -16.59 0.41 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.01 -38.97 84.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.703 0.287 . . . . 0.0 111.411 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.5 14.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.685 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -52.86 -30.04 31.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.5 p-10 -58.24 -54.19 49.73 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.734 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -81.25 -60.77 2.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.7 t -82.49 -56.61 3.78 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 117.438 2.384 . . . . 0.0 117.438 -175.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.644 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -67.02 -60.11 2.91 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 17.6 mt -58.48 -50.69 72.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.53 -55.06 24.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.12 -34.72 76.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -74.57 -58.66 3.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.06 -35.55 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.9 mm -60.59 -42.88 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.59 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.01 -26.56 60.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.594 0.235 . . . . 0.0 111.422 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.8 t -56.44 -58.03 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.55 -35.58 2.9 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.61 25.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.437 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.64 -69.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 m -64.46 -50.81 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.24 -39.06 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 58' ' ' ALA . 44.1 t -57.94 -35.2 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 p -71.57 -54.6 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 111.755 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -23.08 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.88 75.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 82' ' ' GLU . 26.6 mm -69.09 -38.42 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -60.86 -42.49 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.518 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.4 mt -75.34 -44.33 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.28 -46.41 89.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.211 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.678 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -62.23 -57.52 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.514 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.9 tttm -65.23 -8.06 15.8 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -99.21 -42.09 7.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.88 -52.03 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.647 ' HB3' HG22 ' A' ' 77' ' ' ILE . 52.7 m-85 -138.55 63.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.678 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 58.2 ttp -52.22 -12.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.619 0.247 . . . . 0.0 111.535 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -80.57 -51.83 8.3 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.647 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.6 tt -71.59 -38.2 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.182 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.456 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 42.4 t30 -56.38 -40.66 74.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.93 -32.31 65.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.507 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.462 HD13 HG23 ' A' ' 12' ' ' THR . 55.2 mt -70.04 -46.2 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.049 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.0 pt-20 -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.553 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -56.81 -33.17 66.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.392 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.416 ' NZ ' HD23 ' A' ' 9' ' ' LEU . 6.6 ttpm? -56.7 -29.5 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.326 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.91 -35.23 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' NZ ' ' A' ' 86' ' ' LYS . 10.4 mtmp? -55.23 -49.02 73.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 43.0 tt0 -71.54 -29.65 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.768 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.47 68.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.368 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.473 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptp180 -72.21 -21.59 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.332 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 27.6 mtpp -70.61 -34.54 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.751 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.485 ' HB2' HH21 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -62.44 -29.41 70.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.962 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -55.26 -31.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.417 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.88 -31.85 73.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -77.58 -25.43 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.485 HH21 ' HB2' ' A' ' 2' ' ' GLU . 15.9 mmt180 -81.74 -54.43 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.471 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.535 ' HG3' ' HA ' ' A' ' 45' ' ' ARG . 37.9 tt0 -61.63 -53.19 59.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.342 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.19 -49.19 78.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD22 HG13 ' A' ' 62' ' ' VAL . 8.2 tt -55.99 -31.35 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.747 HD11 HD21 ' A' ' 52' ' ' LEU . 76.2 mt -80.99 -60.48 2.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.23 -25.93 16.01 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.419 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.4 p -63.48 -8.34 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.748 0.309 . . . . 0.0 111.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -122.83 -41.28 0.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.184 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.8 mm? -58.01 -43.13 86.52 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.927 0.394 . . . . 0.0 110.731 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.98 10.69 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.333 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.55 19.41 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 13' ' ' GLY . 41.7 pt -130.96 164.23 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.359 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.8 m -92.04 155.34 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.44 -31.84 68.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.483 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 11.9 pt-20 -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mt-10 -77.86 -28.41 50.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -54.27 -43.83 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.2 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -60.83 -31.4 70.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.268 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.56 -43.94 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.507 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.62 -50.35 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.5 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE3' HD22 ' A' ' 40' ' ' LEU . 4.0 mptp? -60.49 -40.74 92.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.733 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -71.84 -38.57 70.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.828 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.93 -56.26 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.07 18.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.392 . . . . 0.0 111.266 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.704 HD13 ' HB ' ' A' ' 35' ' ' ILE . 14.4 mt -97.71 90.86 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -91.65 -50.13 5.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.433 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -95.99 -7.12 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.785 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -84.55 -24.63 29.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.557 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 41.98 68.12 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.704 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.0 tt -60.63 147.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.141 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 123.49 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -67.19 -29.86 69.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.932 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -70.76 -37.16 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.485 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.607 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 75.7 p -66.25 -18.45 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.569 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD22 ' HE3' ' A' ' 26' ' ' LYS . 96.3 mt -52.1 -19.86 2.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.508 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.19 -61.57 2.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.045 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.22 14.14 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.655 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.51 -54.22 48.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.613 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.535 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 27.2 ptt180 -81.54 -62.91 1.51 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.416 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 28.1 m -84.18 -57.44 3.18 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.44 -59.64 2.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -173.634 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -53.63 -38.46 64.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.262 0.483 . . . . 0.0 112.066 -178.114 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -63.64 -55.1 26.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.892 0.331 . . . . 0.0 111.892 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.64 -33.83 75.74 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.86 -57.85 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.747 HD21 HD11 ' A' ' 10' ' ' LEU . 4.2 pp -58.12 -32.6 68.29 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 52' ' ' LEU . 93.2 mt -58.23 -34.64 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.381 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -75.17 -27.46 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -69.98 -57.68 4.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.662 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.68 -35.29 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.23 -178.63 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.248 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.96 -69.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . . . -68.11 -37.21 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.801 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.3 m -61.17 -53.79 52.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.44 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -68.36 -47.89 66.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.633 HG13 HD22 ' A' ' 9' ' ' LEU . 85.1 t -58.59 -34.47 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.6 m -66.0 -55.24 17.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.633 0.254 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.96 64.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -36.97 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.571 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 9' ' ' LEU . 40.2 mm -64.83 -41.28 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.255 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -44.03 97.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.83 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -71.39 -51.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.79 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -54.92 -49.61 70.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.676 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.9 pt20 -58.73 -56.39 22.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 111.915 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 98.4 mttt -66.62 -7.63 21.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.9 mm? -105.71 -41.01 5.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -124.54 -51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.433 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 69.9 m-85 -137.69 62.42 1.58 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.676 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.2 ptt? -52.12 -18.67 1.55 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -80.81 -51.28 8.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.057 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.6 mt -65.57 -47.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.468 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.0 -30.93 49.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.516 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.0 t-20 -52.98 -37.15 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 -33.88 66.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.321 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -43.37 65.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.898 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 9.2 pt-20 -57.72 -26.21 61.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.317 . . . . 0.0 110.88 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 mm-40 -65.32 -33.15 75.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 26.0 ttmt -60.29 -28.8 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.41 -34.98 37.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.482 ' NZ ' ' HB2' ' A' ' 86' ' ' LYS . 4.7 ttmp? -50.77 -46.78 59.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 33.0 tt0 -77.67 -31.2 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.98 -28.6 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.498 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.25 -51.64 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.82 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 40.7 ptt180 -72.89 -13.15 61.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.526 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -78.66 -11.74 59.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.722 0.296 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.674 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.51 -29.92 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -62.14 -30.0 70.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.46 -32.89 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -66.89 -38.69 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.497 HH11 HG13 ' A' ' 53' ' ' ILE . 38.4 ptt180 -81.0 -45.54 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -49.07 77.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.594 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.36 -49.43 66.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.884 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 66' ' ' ILE . 22.7 tp -60.1 -31.46 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.691 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.99 -60.3 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.2 pp -54.23 -26.16 27.08 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.14 -3.15 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.236 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.82 -40.77 0.48 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.245 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -59.92 -48.29 82.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 110.703 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.14 9.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.52 17.69 9.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 22' ' ' LEU . 23.1 pt -131.14 151.6 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.373 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.7 p -63.96 172.95 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -68.15 -43.32 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.22 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.01 -46.55 87.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.31 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -70.25 -28.61 65.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 40' ' ' LEU . 62.0 tp -58.58 -37.04 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.021 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.1 -33.56 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.5 -44.75 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.538 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.86 -57.02 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.235 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HB3' HG21 ' A' ' 35' ' ' ILE . 26.9 mtpp -58.8 -37.21 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -70.21 -25.83 63.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -79.3 -54.13 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -64.96 -51.5 61.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.1 mm? -92.99 90.23 6.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.823 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.2 p -91.93 -49.93 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.31 -16.56 21.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.039 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -77.99 -23.11 48.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 47.35 68.08 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' ' 26' ' ' LYS . 4.9 tp -54.99 158.2 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.98 127.83 47.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.96 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 14.2 ptm180 -66.71 -21.56 66.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.331 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.4 t -59.55 -32.3 70.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 111.041 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.545 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.9 p -77.33 -18.31 57.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.821 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 10.6 tp -43.53 -23.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.301 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.55 -54.57 45.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.533 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -125.7 14.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 111.373 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.676 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -51.78 -30.07 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.3 -55.05 39.99 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.452 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' H ' ' A' ' 46' ' ' THR . 11.8 ptp180 -81.28 -61.84 1.83 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.413 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 71.8 p -83.3 -57.15 3.38 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 -175.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.668 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -69.33 -59.75 2.79 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -173.847 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.676 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 40.8 mt -54.31 -43.77 71.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.32 0.509 . . . . 0.0 111.269 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.569 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.14 -54.89 33.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.97 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.43 -34.1 76.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -72.28 -58.11 3.67 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.17 -33.08 73.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.13 -40.78 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.574 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -57.97 -26.56 62.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.613 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -56.23 -57.7 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.7 -35.68 2.86 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.41 177.48 27.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.193 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.734 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.39 -69.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.34 77.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.7 p -65.01 -56.29 14.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -59.16 -43.5 92.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 58' ' ' ALA . 59.5 t -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -72.73 -48.22 40.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 11.7 pttp -71.17 -25.12 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.34 -31.13 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 9' ' ' LEU . 35.7 mm -67.73 -41.48 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.95 -37.41 75.84 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.5 mt -73.05 -46.1 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.09 -32.17 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.699 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.7 pt20 -69.2 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 24.9 ttpp -64.42 -7.83 11.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -101.11 -41.28 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -124.67 -51.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -138.13 63.37 1.54 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.699 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.1 ptp -50.9 -19.72 1.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.608 0.242 . . . . 0.0 111.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -81.42 -43.83 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.133 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -71.15 -50.64 40.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.758 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.23 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 44.3 t-20 -53.0 -41.09 64.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.43 -42.39 65.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.967 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 5.5 pt-20 -51.55 -24.36 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.73 -33.12 54.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.669 0.271 . . . . 0.0 111.399 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.29 -30.27 59.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.199 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.44 -36.06 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.254 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -71.13 -34.9 71.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.4 -30.2 57.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.066 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -28.53 65.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.77 -54.51 27.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -73.76 -20.95 60.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -83.36 -9.14 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.873 179.643 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG2' ' H ' ' A' ' 3' ' ' SER . 48.2 ttm . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -29.8 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.588 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 53.1 m -59.72 -35.48 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.83 -29.83 62.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -72.96 -38.95 66.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.745 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 22.0 ptt85 -81.3 -49.21 11.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.07 -53.13 59.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 tpt -67.27 -50.47 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.42 -32.68 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.61 -56.77 4.06 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -56.83 -23.99 47.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 12' ' ' THR . 88.7 m -60.39 -11.45 6.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.855 0.359 . . . . 0.0 111.215 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.11 -21.28 3.17 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.057 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD12 HD11 ' A' ' 22' ' ' LEU . 4.1 mm? -74.76 -59.33 2.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.98 0.39 . . . . 0.0 111.18 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.28 7.31 11.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.473 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.92 19.91 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.528 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.65 158.37 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.252 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -59.39 163.62 3.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.38 -41.12 81.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.301 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.5 pt-20 -58.83 -45.02 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.154 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 44.8 mt-10 -77.58 -28.65 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.571 HD23 HD13 ' A' ' 40' ' ' LEU . 41.6 tp -60.95 -32.97 72.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -77.13 -34.69 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.14 -47.52 76.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.89 -45.08 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.264 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE3' HD21 ' A' ' 48' ' ' LEU . 34.6 mtpt -64.08 -32.2 73.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -70.89 -46.29 62.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.834 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -68.67 -50.33 51.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.678 0.275 . . . . 0.0 111.508 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.12 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.276 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.611 HD13 ' HB ' ' A' ' 35' ' ' ILE . 11.0 mt -97.23 91.15 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.9 p -92.0 -49.74 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.848 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.64 9.51 40.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.964 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.574 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.8 m-85 -104.06 -24.02 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.646 0.26 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 43.96 29.17 0.3 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.591 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.611 ' HB ' HD13 ' A' ' 30' ' ' LEU . 68.9 mt -56.49 138.15 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.877 0.37 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.74 128.83 24.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 32.4 ptt180 -66.53 -44.01 83.63 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -50.94 -28.0 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.63 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' HB2' ' A' ' 43' ' ' ALA . 23.8 m -55.91 -18.18 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.956 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.571 HD13 HD23 ' A' ' 22' ' ' LEU . 2.8 pp -52.92 -11.21 0.21 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.4 -40.53 78.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.06 3.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.689 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -54.17 -29.65 46.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.187 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.411 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 13.8 p-10 -57.99 -52.11 66.88 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -79.7 -64.07 1.27 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -83.61 -56.56 3.66 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 117.577 2.436 . . . . 0.0 117.577 -175.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.666 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.8 mm-40 -68.58 -60.22 2.57 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -173.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.689 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 48.7 mt -59.89 -52.64 64.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.46 -54.48 26.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.33 -33.95 75.22 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -73.63 -57.83 3.72 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 53' ' ' ILE . 4.4 pp -50.63 -32.01 17.73 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.5 mt -52.8 -46.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 111.756 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.67 -27.16 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.742 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.4 t -62.26 -58.66 6.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.04 -35.56 2.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.89 -178.35 29.21 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.207 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.47 -69.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.28 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.014 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.2 m -61.57 -56.04 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.918 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -59.54 -43.54 93.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 58' ' ' ALA . 98.0 t -62.23 -30.96 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 111.375 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.0 m -75.97 -50.05 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.429 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.1 pttp -65.1 -32.64 74.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.57 -31.12 56.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 HD21 ' A' ' 9' ' ' LEU . 21.4 mm -67.3 -41.08 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.55 -42.07 95.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.617 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.6 mt -71.05 -43.49 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.89 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -70.92 -40.72 71.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.687 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.1 pt20 -62.87 -57.37 11.05 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 85.4 tttt -66.05 -7.8 19.51 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -101.76 -41.5 6.51 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 14.4 m120 -125.48 -51.36 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 77' ' ' ILE . 98.2 m-85 -137.48 64.29 1.53 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -176.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.687 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.1 ptt? -50.56 -24.85 3.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -81.45 -34.24 31.59 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.594 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.407 HD12 ' CG ' ' A' ' 74' ' ' TYR . 31.5 mt -70.61 -50.48 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 111.232 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 66' ' ' ILE . . . -57.38 -30.27 64.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.576 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.1 t-20 -52.65 -41.75 64.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.163 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.49 65.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.456 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.39 -45.9 65.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.75 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -58.32 -26.31 62.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.078 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG3' ' HE3' ' A' ' 86' ' ' LYS . 40.3 tt0 -59.27 -33.28 70.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.67 -28.64 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.333 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -51.03 -34.96 31.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' HE3' ' HG3' ' A' ' 83' ' ' GLU . 10.3 mtmp? -57.64 -41.5 81.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.506 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 41.3 tt0 -76.94 -29.03 55.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.78 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.484 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -58.68 -28.57 65.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -51.77 -55.33 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.581 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 18.6 ptp180 -68.88 -15.88 63.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.046 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.4 mtpp -83.18 -21.93 33.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.86 -29.26 69.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 m -60.74 -41.38 95.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 8' ' ' MET . 40.7 mt-10 -75.43 -30.1 59.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.2 -36.75 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.474 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.479 HH21 ' HB1' ' A' ' 58' ' ' ALA . 5.9 ptp180 -81.96 -43.52 17.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 111.702 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.65 -52.95 62.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 mmt -70.33 -46.59 63.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.661 HD22 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -55.86 -31.79 63.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.814 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 52' ' ' LEU . 59.6 mt -84.44 -59.52 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.0 pp -57.88 -23.8 54.73 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 9' ' ' LEU . 15.2 t -65.35 -5.27 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.673 0.273 . . . . 0.0 111.299 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.09 -44.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.577 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -78.98 -2.13 38.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -113.05 14.31 19.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.43 177.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.32 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 72.6 p -95.55 174.46 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.03 -45.47 73.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.449 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.67 -42.18 78.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -77.04 -28.43 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.73 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 40' ' ' LEU . 2.7 tt -62.01 -48.71 79.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.45 -30.91 70.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -62.36 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.33 -56.52 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 35' ' ' ILE . 9.6 mtpm? -55.59 -34.25 64.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.336 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -69.12 -35.69 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.34 -53.85 8.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.45 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -59.84 -51.54 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.389 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.9 mm? -97.06 90.91 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.8 p -91.69 -50.41 5.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.697 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.75 -16.62 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.261 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.83 -22.96 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 47.71 68.11 0.71 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.338 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.479 HD13 ' HE2' ' A' ' 26' ' ' LYS . 21.6 tt -70.03 140.33 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.721 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.97 124.25 23.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.643 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -66.81 -21.42 66.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -63.73 -28.34 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' OE2' ' A' ' 47' ' ' GLU . 49.5 p -56.45 -18.38 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.852 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 22' ' ' LEU . 5.0 mp -47.75 -20.24 0.27 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -53.68 -46.25 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.19 14.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.673 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -43.5 -43.57 5.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.33 -0.85 . . . . 0.0 113.025 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -57.13 -54.73 43.44 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.472 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 45' ' ' ARG . 30.8 ptt180 -81.84 -63.34 1.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.41 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 26.2 m -85.28 -59.21 2.39 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 118.108 2.633 . . . . 0.0 118.108 -175.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.673 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 44.9 mt-10 -71.17 -59.9 2.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -173.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 48' ' ' LEU . 1.1 tt -59.88 -33.68 72.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.192 0.451 . . . . 0.0 111.646 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.78 -54.77 26.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.8 t70 -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.681 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.444 ' ND1' HD12 ' A' ' 35' ' ' ILE . 54.6 t-80 -60.76 -58.23 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.5 pp -54.7 -32.73 59.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.2 mt -56.44 -37.21 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.12 -27.33 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.344 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.1 m -65.66 -58.79 4.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.44 -35.08 2.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.805 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.22 -175.42 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.167 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB1' HH21 ' A' ' 6' ' ' ARG . . . -71.26 -69.92 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.299 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.65 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.643 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.9 m -57.8 -54.83 42.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.957 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 52' ' ' LEU . . . -67.77 -46.99 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.661 HG13 HD22 ' A' ' 9' ' ' LEU . 68.1 t -58.82 -31.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.675 0.274 . . . . 0.0 111.599 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.4 m -76.42 -54.2 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.693 0.283 . . . . 0.0 111.462 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.4 pttp -63.04 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.28 -31.24 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' A' ' 82' ' ' GLU . 34.8 mm -72.51 -42.94 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.69 -37.51 86.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.417 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -75.62 -51.17 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.667 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.35 -36.48 78.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 14.0 pt20 -67.82 -59.47 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 39.8 ttmt -65.59 -7.79 16.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -103.79 -40.8 6.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.36 -50.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -137.67 63.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.663 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.9 ptt? -51.24 -21.29 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.191 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -81.04 -50.96 9.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.483 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.74 -49.92 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.85 -30.75 46.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.0 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 57.8 t30 -57.1 -35.31 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.197 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.89 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -70.48 -38.25 74.37 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.4 pt-20 -57.3 -25.82 59.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.666 0.27 . . . . 0.0 111.56 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.13 -32.98 68.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.2 -29.82 61.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -52.08 -34.65 44.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 86' ' ' LYS . 1.5 tpmt? -51.85 -40.99 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -77.21 -28.94 53.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -53.21 -29.14 30.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.586 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.21 -53.47 57.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.312 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.42 -15.14 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.251 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -73.88 -42.06 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.846 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.57 -29.42 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.495 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 55.3 m -61.17 -31.64 71.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -75.69 -29.78 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -71.82 -41.29 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.34 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.516 ' O ' HD23 ' A' ' 10' ' ' LEU . 37.8 ptt180 -75.76 -35.37 60.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.63 -52.33 18.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.638 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.88 -49.92 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.4 -35.11 67.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.548 ' HG ' HD21 ' A' ' 52' ' ' LEU . 4.2 mm? -79.99 -56.03 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -52.8 -23.99 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.445 ' N ' HD12 ' A' ' 11' ' ' LEU . 99.3 m -56.15 -34.95 66.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 111.393 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.26 -44.99 3.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.066 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 22' ' ' LEU . 2.9 mm? -58.33 -44.12 88.55 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.861 0.331 . . . . 0.0 111.254 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.13 10.4 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.431 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -122.96 -21.76 5.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.2 pt -93.8 174.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.39 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p -91.18 -179.9 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.225 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.67 -39.93 80.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.65 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -70.48 -28.47 65.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.033 0.444 . . . . 0.0 110.305 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 14' ' ' LEU . 30.7 tp -69.39 -32.55 71.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.489 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -77.76 -38.63 46.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.21 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -70.56 -35.18 72.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -54.72 -53.05 60.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.289 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HE3' ' HG ' ' A' ' 48' ' ' LEU . 63.1 mttp -68.44 -29.64 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.384 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.61 -37.94 77.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.542 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -79.53 -54.46 5.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.65 0.262 . . . . 0.0 111.423 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.62 -52.62 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.613 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 5.7 mp -98.12 90.67 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.433 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -92.15 -49.44 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.47 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.22 0.13 53.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.58 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.658 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 87.4 m-85 -87.33 -23.43 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 44.26 52.52 7.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.222 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.438 ' HB ' HD22 ' A' ' 30' ' ' LEU . 20.5 tt -59.16 145.72 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.009 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -70.45 125.93 28.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.897 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -67.1 -18.95 65.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.447 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -70.6 -28.53 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.177 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.486 HG23 ' HB3' ' A' ' 36' ' ' ALA . 62.5 p -62.17 -18.6 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 37' ' ' ARG . 10.1 mp -51.34 -15.08 0.34 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.73 -50.46 73.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -129.79 14.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.637 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.69 -39.16 7.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.174 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.65 -54.33 47.38 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.456 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.7 ptp180 -80.69 -62.34 1.7 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.425 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 65.4 p -84.72 -59.5 2.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -175.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.685 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -71.42 -60.77 2.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -173.846 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' HE3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -59.22 -50.43 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.01 -55.13 30.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.28 -39.22 82.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.34 -54.65 33.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' A' ' 10' ' ' LEU . 4.4 pp -54.41 -32.57 57.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.657 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.1 mm -56.92 -41.94 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 111.183 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -57.49 -27.08 62.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.696 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 m -56.52 -58.25 8.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.09 -35.36 2.83 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.89 178.93 28.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.03 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -64.33 -69.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.692 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.43 74.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.953 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -66.37 -56.05 12.94 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -59.28 -48.31 82.1 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG13 HD22 ' A' ' 9' ' ' LEU . 85.7 t -58.05 -30.87 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.684 0.278 . . . . 0.0 111.618 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.3 m -76.34 -51.04 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -23.15 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.32 75.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.325 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.731 HD11 HD21 ' A' ' 9' ' ' LEU . 48.8 mm -66.33 -38.28 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -64.11 -41.7 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 56.4 mt -74.75 -47.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.88 -40.79 96.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.9 pt20 -63.44 -59.58 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 22.3 ttmm -66.01 -8.07 20.85 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -177.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -100.2 -41.75 6.97 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.94 -50.8 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 49.7 m-85 -136.68 62.78 1.59 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.655 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 17.2 ptp -51.66 -19.24 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.117 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -80.97 -50.27 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.063 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.423 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.2 mt -63.03 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.64 -31.13 56.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.536 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.9 t-20 -55.03 -40.2 69.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.0 -32.59 65.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.471 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.427 HD21 ' HG ' ' A' ' 9' ' ' LEU . 50.0 tp -72.26 -44.48 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -55.98 -25.96 46.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.567 0.222 . . . . 0.0 111.399 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.66 -34.03 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -57.3 -30.15 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 85' ' ' LYS . 5.7 tmmm? -57.38 -35.18 69.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.224 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.89 -50.43 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.57 -29.23 62.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.36 -28.16 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.397 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -51.21 -53.12 38.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.739 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -73.53 -20.22 60.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.453 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.29 -21.57 62.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.337 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.421 -179.502 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -69.5 -30.87 68.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -60.9 -26.26 67.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.16 -29.82 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -86.57 -30.29 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.235 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.57 ' HG2' HG21 ' A' ' 62' ' ' VAL . 84.6 mtm180 -81.96 -60.08 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.526 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.525 ' HG2' HD23 ' A' ' 11' ' ' LEU . 39.1 tt0 -55.05 -52.85 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.125 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -58.09 -49.99 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.571 HD22 HG13 ' A' ' 62' ' ' VAL . 8.8 tt -58.5 -31.9 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.775 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.2 mt -78.37 -60.84 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.3 pp -55.11 -25.06 29.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 -2.7 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.16 -31.3 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.713 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 22' ' ' LEU . 3.9 mm? -72.54 -51.81 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.83 5.84 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.017 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.8 11.3 20.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 22' ' ' LEU . 39.0 pt -135.23 -178.16 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 19' ' ' GLU . 13.8 m -86.73 158.64 19.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 18' ' ' THR . 10.9 pt-20 -57.88 -42.31 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.16 -29.16 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.767 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.97 -28.15 55.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 17' ' ' ILE . 96.2 mt -58.2 -49.46 76.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.06 -30.59 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.05 -43.55 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.891 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -67.54 -35.52 79.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.612 ' HD2' HG21 ' A' ' 35' ' ' ILE . 47.9 mmtm -69.69 -40.17 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.86 -29.81 69.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.693 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -79.24 -55.71 4.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.688 0.28 . . . . 0.0 111.555 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -51.43 23.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 111.331 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.603 HD13 ' HB ' ' A' ' 35' ' ' ILE . 7.2 mt -96.77 90.55 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -92.11 -49.62 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.546 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.27 -11.36 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.379 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.583 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -77.99 -23.87 48.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.223 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 42.29 67.86 0.54 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.612 HG21 ' HD2' ' A' ' 26' ' ' LYS . 10.2 tt -73.13 148.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.067 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.77 123.37 17.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.416 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 40' ' ' LEU . 37.1 ptt180 -66.87 -27.67 67.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.377 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p -72.96 -40.76 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.68 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 70.5 p -58.85 -17.62 25.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.905 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 37' ' ' ARG . 8.5 mp -48.54 -21.17 0.52 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.843 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.2 -60.42 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.336 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 m -106.59 10.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.263 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -57.2 -29.19 63.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -57.12 -53.65 55.68 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.068 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.8 ptm180 -81.23 -61.92 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.411 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 64.5 p -83.32 -56.96 3.46 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 -175.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -65.58 -60.37 2.99 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 11.2 mt -55.53 -49.85 71.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -51.79 -55.47 19.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.02 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.29 -36.49 77.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -74.79 -59.31 2.79 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 53' ' ' ILE . 3.2 pp -63.03 -36.41 83.48 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 58' ' ' ALA . 8.5 mm -61.12 -39.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.38 -26.99 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -56.55 -58.44 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.08 -35.68 2.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.15 178.3 26.7 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.801 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.12 -69.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.01 99.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.4 m -57.78 -50.47 73.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.78 -44.69 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.571 HG13 HD22 ' A' ' 9' ' ' LEU . 70.6 t -58.34 -32.38 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.2 p -73.91 -54.06 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.66 0.267 . . . . 0.0 111.686 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.14 -24.16 67.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.095 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -31.59 66.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 82' ' ' GLU . 38.8 mm -73.88 -41.81 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.314 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -65.36 -39.33 92.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.83 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.9 mt -74.0 -46.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.752 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -62.74 -45.51 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.77 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.721 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.1 pt20 -60.58 -55.6 31.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 112.03 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 14.4 mmmm -66.37 -7.37 18.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -104.38 -41.55 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -125.38 -51.87 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -138.33 63.57 1.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.721 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 5.2 ppp? -51.66 -13.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.665 0.269 . . . . 0.0 111.439 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -81.26 -49.2 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.796 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.5 tt -70.03 -37.09 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.413 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -57.95 -30.9 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.622 0.249 . . . . 0.0 111.377 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -54.23 -34.07 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.81 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.339 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.2 mp -72.15 -46.48 56.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.813 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -57.51 -26.73 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.81 -38.12 85.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.22 -29.47 68.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.229 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 85' ' ' LYS . 9.0 mtpm? -52.14 -35.07 47.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.433 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 6.9 mtpm? -49.62 -52.29 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 7.7 tp10 -77.43 -28.84 52.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.3 -28.02 17.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.139 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 90' ' ' ARG . 11.8 pt-20 -51.43 -45.24 62.55 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.89 -21.76 60.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.733 0.301 . . . . 0.0 111.146 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -83.54 -20.87 33.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.36 -49.54 73.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -57.8 -38.0 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.408 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.5 -29.22 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.805 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -74.59 -35.0 62.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.653 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 33.0 ptt180 -77.54 -46.47 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.66 0.266 . . . . 0.0 111.621 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 42.6 tt0 -64.78 -51.88 59.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.96 -44.78 96.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.58 HD21 HD11 ' A' ' 66' ' ' ILE . 10.4 tt -67.11 -40.5 86.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.553 HD13 HD21 ' A' ' 52' ' ' LEU . 64.8 mt -75.46 -45.11 40.57 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.9 pp -60.49 -23.74 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.562 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 81' ' ' LEU . 31.5 m -58.47 -16.69 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -104.72 -50.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.937 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 17' ' ' ILE . 3.7 mm? -57.58 -43.47 84.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.888 0.375 . . . . 0.0 111.07 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.82 9.87 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -134.14 22.97 3.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.352 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.45 HD11 HD13 ' A' ' 14' ' ' LEU . 34.0 pt -137.66 158.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.261 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -75.47 172.11 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.5 -42.87 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 10.4 pt-20 -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.105 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 42.5 mt-10 -77.56 -28.49 51.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 40' ' ' LEU . 6.8 tt -54.86 -49.75 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.301 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 55.4 pttt -71.97 -29.3 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.176 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -58.87 -41.19 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.25 -55.85 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HE3' HD22 ' A' ' 40' ' ' LEU . 16.1 mtmm -63.79 -24.21 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.653 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.7 -46.05 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.296 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.99 -47.14 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.425 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 15.3 mt -98.53 90.87 4.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.6 p -92.12 -50.55 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.847 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -96.51 -7.4 34.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.885 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 73.5 m-85 -79.32 -23.68 43.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 42.95 68.3 0.52 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.364 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.4 tt -65.74 154.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.21 127.63 32.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 0.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -67.26 -20.21 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.8 p -72.99 -33.85 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.285 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.553 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 70.9 p -69.91 -18.32 63.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.716 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.621 HD22 HD21 ' A' ' 22' ' ' LEU . 85.6 mt -50.15 -19.2 0.71 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.104 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.26 -63.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.46 14.05 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.692 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -50.1 -37.43 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.393 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.54 -53.77 53.64 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.874 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 46' ' ' THR . 10.5 ptp180 -80.66 -62.81 1.56 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.415 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 58.4 p -85.21 -59.68 2.26 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.692 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 6.3 mm-40 -71.79 -60.85 2.02 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -58.1 -51.23 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -177.58 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 10' ' ' LEU . . . -53.9 -54.44 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.91 -34.05 75.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -71.51 -57.81 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 10' ' ' LEU . 3.4 pp -55.2 -39.89 70.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 58' ' ' ALA . 2.7 pp -70.28 -26.99 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 0.0 111.725 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' N ' HD12 ' A' ' 53' ' ' ILE . 28.1 tt0 -58.79 -27.16 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.745 0.307 . . . . 0.0 111.27 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -56.39 -57.96 10.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.94 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.41 -35.51 2.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.788 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.74 170.51 23.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.401 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . . . -70.53 -68.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.468 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.02 -32.37 46.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.111 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.0 m -74.98 -55.9 5.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -69.58 -43.81 72.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.405 HG13 HD22 ' A' ' 9' ' ' LEU . 96.8 t -58.05 -30.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.7 p -81.18 -50.08 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.7 pttp -64.33 -28.98 70.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.182 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.88 -30.6 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.58 HD11 HD21 ' A' ' 9' ' ' LEU . 32.8 mm -61.1 -43.18 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.436 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -61.58 -42.29 98.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.772 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -71.92 -51.54 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.25 -46.12 89.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.669 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.5 pt20 -57.99 -53.22 60.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 0.0 111.736 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.557 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 11.8 mmmm -68.73 -7.43 33.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.58 -41.37 5.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -124.98 -51.25 1.68 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -137.6 64.33 1.52 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.669 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 56.8 ttp -50.52 -20.62 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 0.0 111.11 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -80.66 -50.48 9.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.417 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.25 -44.22 97.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.89 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.99 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -52.86 -32.46 44.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.234 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.18 69.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 12' ' ' THR . 96.0 mt -72.37 -47.17 51.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.895 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.56 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -54.84 -30.33 57.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 111.37 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.74 -38.07 85.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -61.38 -29.97 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -53.68 -35.57 61.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -56.96 -38.59 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.56 -29.09 56.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.81 -28.62 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -57.0 -54.62 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.33 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.72 -21.89 64.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.093 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -70.26 -47.68 60.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.6 mtp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.18 -33.37 75.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.438 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 85.4 p -60.09 -25.41 65.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.348 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.97 -45.73 40.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.202 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.56 -29.75 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HG2' HG21 ' A' ' 62' ' ' VAL . 51.1 mtm180 -82.6 -56.84 3.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 0.0 111.912 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.452 ' HG2' HD23 ' A' ' 11' ' ' LEU . 43.4 tt0 -57.26 -53.2 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.13 -50.48 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 66' ' ' ILE . 10.0 tt -57.5 -32.64 67.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.086 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HG ' HD21 ' A' ' 52' ' ' LEU . 3.9 mm? -80.79 -55.66 4.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -55.32 -23.76 25.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.43 ' HB ' HD21 ' A' ' 81' ' ' LEU . 89.5 m -58.23 -22.63 52.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 -39.12 2.08 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.978 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.05 -48.51 79.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.212 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.15 4.02 21.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.528 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -118.45 24.09 11.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.685 0.279 . . . . 0.0 111.433 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.1 pt -136.96 148.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.235 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -63.95 -179.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -45.43 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.394 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.346 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.18 -28.02 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.696 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.597 HD21 HD12 ' A' ' 40' ' ' LEU . 45.6 tp -65.15 -37.33 87.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.03 -30.46 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.76 -52.22 52.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.377 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -54.87 -37.55 66.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -66.79 -31.28 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.374 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -73.02 -50.87 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.63 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -69.26 -54.68 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -52.98 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.715 0.293 . . . . 0.0 111.538 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.602 HD13 ' HB ' ' A' ' 35' ' ' ILE . 12.7 mt -98.49 90.54 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -91.94 -50.54 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.488 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -96.81 -8.92 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.871 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 91.7 m-85 -79.2 -24.42 43.16 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.372 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 42.13 37.92 0.98 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.072 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.602 ' HB ' HD13 ' A' ' 30' ' ' LEU . 16.1 mt -56.46 137.29 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.007 0.432 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.49 145.69 51.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.762 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' O ' HD23 ' A' ' 40' ' ' LEU . 19.8 tpp180 -66.68 -31.01 71.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.081 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -62.52 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 19.6 m -56.54 -20.7 21.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.719 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.597 HD12 HD21 ' A' ' 22' ' ' LEU . 4.3 mm? -57.4 -8.78 0.85 Allowed 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.58 -58.09 7.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.31 14.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.23 -40.81 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.442 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.63 -52.83 63.36 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -79.73 -64.13 1.26 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.5 p -84.46 -58.33 2.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -70.4 -60.67 2.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -173.774 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.12 -52.51 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -177.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.72 -54.74 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.98 -40.16 83.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.55 -56.23 15.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.525 HD12 HD13 ' A' ' 53' ' ' ILE . 4.4 pp -50.71 -31.87 17.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.7 mm -56.2 -40.25 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.771 0.32 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -58.51 -26.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.698 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -56.53 -59.08 5.5 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.72 -35.67 2.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 53' ' ' ILE . . . 157.22 -173.4 34.75 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.113 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.05 -69.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 63' ' ' THR . . . -67.98 -44.05 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -55.62 -53.05 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.42 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.592 HG13 HD22 ' A' ' 9' ' ' LEU . 80.3 t -69.11 -32.87 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 59' ' ' ALA . 36.6 p -74.04 -52.85 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -33.65 70.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.156 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.85 62.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.256 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 9' ' ' LEU . 39.5 mm -66.23 -44.61 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.378 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.56 -36.48 83.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.808 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 76.9 mt -73.47 -52.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.704 0.287 . . . . 0.0 111.61 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.21 -36.88 81.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.161 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.5 pt20 -69.62 -55.15 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.393 . . . . 0.0 111.646 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 58.4 mtpt -66.86 -7.41 21.59 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.1 mm? -109.01 -40.55 4.96 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -124.16 -51.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 74.5 m-85 -138.0 63.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.4 ptt? -51.05 -21.29 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -80.91 -51.24 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.8 mt -62.45 -46.21 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.725 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -54.09 -30.32 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.955 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -52.25 -32.69 38.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.67 68.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.148 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.56 -45.75 57.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.065 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.481 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -55.41 -32.32 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.619 0.247 . . . . 0.0 111.349 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.97 -33.04 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 4.7 ttmp? -59.55 -30.02 68.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.41 -35.34 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -54.48 -41.43 69.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 42.7 tt0 -74.68 -29.99 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.24 -28.6 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.269 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.06 -54.52 34.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.22 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.49 -17.22 61.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -74.61 -24.94 58.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.83 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -59.08 -35.89 74.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.38 -30.13 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -73.95 -39.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.7 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HB3' HG21 ' A' ' 62' ' ' VAL . 33.5 ptt180 -81.63 -34.76 30.67 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.76 -46.2 69.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.556 ' HA ' HD22 ' A' ' 11' ' ' LEU . 16.3 tpt -70.44 -46.53 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.478 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.534 HD22 HG13 ' A' ' 62' ' ' VAL . 7.8 tt -56.31 -32.19 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.718 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -81.39 -58.26 3.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -56.22 -23.95 38.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 11' ' ' LEU . 69.1 m -60.92 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.394 . . . . 0.0 110.755 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -103.8 -42.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.744 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.68 -44.6 77.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.667 0.27 . . . . 0.0 111.446 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.09 -3.21 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.55 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -113.83 19.35 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.375 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 13' ' ' GLY . 31.0 pt -133.25 177.47 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.349 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 21' ' ' GLU . 5.0 t -95.34 172.51 8.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.39 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.42 -47.46 67.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.751 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.21 -31.78 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.463 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' H ' HG23 ' A' ' 18' ' ' THR . 0.4 OUTLIER -74.48 -28.48 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.262 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.73 -49.14 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.419 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 57.7 mtmt -67.96 -29.46 68.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.845 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.63 -51.92 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -54.32 48.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.433 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HD3' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.11 -24.36 67.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.752 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 51.7 t80 -63.7 -43.52 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.686 0.279 . . . . 0.0 111.221 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -75.97 -55.51 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.813 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 30' ' ' LEU . . . -64.2 -53.36 50.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.669 0.271 . . . . 0.0 111.368 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.642 HD22 ' HB ' ' A' ' 35' ' ' ILE . 5.4 mp -98.5 90.72 4.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.235 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.1 p -91.49 -50.63 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 111.327 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.61 -8.37 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.5 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 97.4 m-85 -78.84 -23.42 45.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.509 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 44.3 68.53 0.53 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.669 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.642 ' HB ' HD22 ' A' ' 30' ' ' LEU . 8.8 tp -55.51 158.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 35' ' ' ILE . . . -85.78 119.55 26.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -67.01 -34.4 77.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.981 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.3 m -69.1 -34.38 75.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.298 . . . . 0.0 111.533 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 80.4 p -73.2 -17.72 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.853 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.5 mt -41.76 -27.81 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.26 -64.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.21 8.32 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.662 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -55.77 -29.09 59.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.31 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.529 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.8 p-10 -57.5 -54.11 50.5 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.308 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -81.06 -61.79 1.85 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.8 t -83.11 -56.6 3.69 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.64 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -68.32 -60.77 2.2 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -173.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 57.6 mt -56.33 -44.11 79.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.469 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -55.15 -56.34 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.73 -33.78 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.54 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 11.1 t-80 -71.66 -57.44 4.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.68 -32.73 71.52 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.5 mm -64.41 -48.4 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 27.1 pt20 -52.91 -26.79 16.01 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -56.27 -57.15 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -122.78 -35.21 3.08 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.28 173.96 22.39 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.647 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -66.84 -69.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.94 -34.26 77.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.4 p -63.35 -50.0 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -72.04 -45.41 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 9' ' ' LEU . 96.5 t -58.07 -30.72 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.584 HG22 ' HE3' ' A' ' 85' ' ' LYS . 40.5 p -77.23 -51.53 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.8 pttp -66.63 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.71 -30.89 45.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 111.016 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 82' ' ' GLU . 46.3 mm -64.26 -46.94 91.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.652 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.11 -38.56 79.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.109 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 68.8 mt -75.53 -52.12 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.48 -34.2 72.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.664 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.8 pt20 -72.4 -56.42 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.535 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 28.9 mtpp -65.85 -7.76 18.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.5 mm? -103.8 -41.27 5.96 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -124.71 -50.88 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -137.39 62.66 1.58 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.664 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 21.0 ptp -51.87 -19.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.685 0.279 . . . . 0.0 111.324 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -81.08 -51.27 8.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.228 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.2 -49.85 79.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.803 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -30.94 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.639 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.454 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.5 t30 -53.08 -36.43 60.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.397 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -32.29 65.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.418 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.9 mt -71.24 -46.77 60.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.125 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.6 pt-20 -55.18 -25.8 34.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.602 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.68 -33.78 70.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -65.13 -28.5 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.584 ' HE3' HG22 ' A' ' 63' ' ' THR . 5.1 ttmp? -51.26 -37.97 50.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.536 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.58 -36.36 69.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.32 -29.01 53.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.706 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.22 -28.49 69.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.23 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.53 -52.36 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.431 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -71.06 -23.39 62.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.388 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -66.54 -28.69 68.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.098 -179.741 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.1 -34.46 73.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -58.35 -42.33 86.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.48 -31.28 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.49 -43.23 93.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.662 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -81.29 -34.63 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 111.514 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.42 -47.0 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.043 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.457 ' HA ' HD22 ' A' ' 11' ' ' LEU . 26.9 ptm -73.14 -42.63 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.481 HD11 HD11 ' A' ' 66' ' ' ILE . 6.3 tt -56.1 -32.03 63.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.643 0.258 . . . . 0.0 111.513 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.493 HD11 HD21 ' A' ' 52' ' ' LEU . 84.7 mt -82.13 -55.02 4.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -58.4 -25.31 61.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.963 -179.085 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.463 ' N ' HD23 ' A' ' 11' ' ' LEU . 10.8 p -68.29 -6.41 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.0 -41.98 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.581 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.3 mm? -58.36 -47.92 82.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.89 10.78 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.583 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -121.02 -11.58 8.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.605 HD11 HD23 ' A' ' 22' ' ' LEU . 29.0 pt -100.16 175.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 111.452 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 m -84.13 155.93 22.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.13 -41.77 75.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.287 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.18 -31.23 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.89 -28.01 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 17' ' ' ILE . 90.1 mt -53.74 -49.32 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.46 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -65.19 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.61 -35.08 78.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.28 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -72.33 -54.84 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.681 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 48' ' ' LEU . 1.3 mptm? -62.32 -35.45 79.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.836 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.27 -30.51 69.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.498 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -79.39 -55.62 4.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.536 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -71.71 -52.15 19.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.194 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.76 91.53 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.2 p -90.42 -45.94 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.949 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -94.73 -15.38 23.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.594 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 58.5 m-85 -79.92 -24.7 40.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.295 -179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 41.48 68.03 0.49 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.042 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 mt -60.9 137.16 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.044 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -61.53 134.72 57.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.475 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HA ' HD13 ' A' ' 40' ' ' LEU . 15.2 ptm180 -67.01 -29.76 69.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.386 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.3 t -67.44 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.791 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.608 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 67.3 p -59.4 -18.27 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.449 HD23 HD13 ' A' ' 22' ' ' LEU . 10.1 mp -55.31 -13.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.603 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.28 -43.52 83.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.81 13.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.662 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -50.44 -29.7 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.078 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.6 p-10 -57.93 -52.74 64.26 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.868 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -79.78 -64.17 1.25 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.9 m -83.72 -57.61 3.15 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.21 -59.9 3.85 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -173.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 80.7 mt -58.93 -46.21 88.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.39 -55.79 19.33 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -68.71 -33.56 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -70.3 -58.72 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.541 HD12 HD13 ' A' ' 53' ' ' ILE . 3.6 pp -64.76 -32.82 74.68 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 58' ' ' ALA . 5.4 mm -60.15 -33.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.864 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -71.34 -27.1 63.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.6 t -58.23 -57.45 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.068 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.61 172.85 22.16 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.501 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.85 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -61.2 -69.83 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.487 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.02 73.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.146 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -47.25 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.499 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.35 -37.0 71.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 58' ' ' ALA . 94.1 t -68.34 -33.26 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 t -80.29 -40.18 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -32.2 67.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 0.0 111.042 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.29 -31.67 54.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.381 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 82' ' ' GLU . 43.8 mm -66.39 -43.24 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.519 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 6.1 t30 -59.31 -40.46 86.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.671 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.0 mt -75.84 -51.92 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.93 0.395 . . . . 0.0 111.718 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.29 -28.21 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.47 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.617 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.9 pt20 -80.61 -54.21 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 111.62 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 30.8 mtpp -67.83 -7.69 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.7 mm? -103.04 -41.27 6.16 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -124.89 -51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -138.06 63.42 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.617 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.9 ptm -51.31 -17.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.991 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -80.78 -51.15 8.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.84 -49.99 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.929 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.43 -30.86 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.749 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 40.5 t30 -52.8 -35.89 57.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.05 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.636 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -71.93 -46.81 56.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.106 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -54.48 -26.23 30.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.675 0.274 . . . . 0.0 111.737 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.2 mm-40 -62.06 -35.66 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 5.0 ttmp? -56.89 -27.89 61.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.734 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -50.82 -34.79 29.13 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.52 -29.17 52.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -60.77 -28.63 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.422 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.64 -53.03 43.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.441 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.63 -16.96 62.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.8 mtpp -82.31 -25.33 34.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.05 -29.63 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.457 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 78.6 p -60.51 -39.48 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.0 -31.04 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.026 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -70.46 -37.74 74.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 16.0 ptt180 -82.39 -29.14 31.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.644 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.46 -53.27 17.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.0 -44.72 68.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.614 HD22 HG13 ' A' ' 62' ' ' VAL . 10.0 tt -56.6 -33.4 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 52' ' ' LEU . 98.0 mt -83.51 -58.48 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.8 pp -51.72 -25.1 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.5 m -54.59 -34.25 61.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.74 -44.02 2.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.938 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -55.37 -54.77 39.53 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 111.441 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.7 10.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.829 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -122.12 -24.64 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.59 0.233 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.9 pt -90.92 165.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.304 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -84.26 157.4 21.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.89 -31.98 72.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.18 -27.66 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.76 -31.07 69.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG2' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mtmt -70.4 -48.15 57.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.892 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -65.41 -34.96 79.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.58 0.229 . . . . 0.0 111.448 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -62.42 -55.63 25.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.74 0.305 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 31.1 mmtp -58.2 -24.76 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -70.94 -36.46 72.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.46 -51.73 8.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.582 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -64.42 -53.0 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.4 mm? -98.25 90.72 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -91.35 -50.85 5.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 111.346 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.46 -12.72 23.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -82.73 -23.8 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 45.48 68.64 0.55 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.558 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.404 HD13 ' HG ' ' A' ' 30' ' ' LEU . 2.1 tp -49.37 153.81 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -81.41 139.38 35.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 111.546 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' NH1' ' HG2' ' A' ' 23' ' ' LYS . 22.3 tpp180 -66.99 -49.92 63.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.403 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -61.22 -28.9 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 47' ' ' GLU . 11.6 m -59.63 -27.44 66.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.521 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.2 -7.48 0.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 111.205 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG11 HH21 ' A' ' 45' ' ' ARG . 3.5 m -115.38 14.34 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.11 -37.24 4.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.491 HH21 HG11 ' A' ' 42' ' ' VAL . 34.5 ptt180 -80.28 -63.13 1.48 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.402 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 35.3 m -84.95 -58.31 2.75 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 4.4 mm-40 -70.22 -59.65 2.76 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -173.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -52.94 -38.0 61.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -64.7 -55.18 21.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.2 m-20 -68.29 -34.42 76.12 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -62.95 -58.31 7.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 10' ' ' LEU . 3.8 pp -54.45 -31.95 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.1 mt -53.85 -34.88 26.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.438 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -69.97 -27.26 64.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.444 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -70.58 -58.45 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.8 -35.3 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.13 -175.6 23.13 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.132 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.48 -70.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.72 0.295 . . . . 0.0 111.555 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.1 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.1 m -66.79 -50.51 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.615 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -71.09 -42.79 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG13 HD22 ' A' ' 9' ' ' LEU . 68.7 t -59.55 -30.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.606 0.241 . . . . 0.0 111.603 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.5 p -79.99 -46.87 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.615 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 18.3 pttp -67.0 -33.92 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 0.0 111.204 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.02 -30.73 48.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.611 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 82' ' ' GLU . 23.6 mm -65.43 -40.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.431 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 17.6 m120 -67.25 -39.08 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.839 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.0 mt -75.41 -51.55 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.475 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -59.06 -36.31 74.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.396 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.686 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.8 pt20 -68.64 -56.31 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 111.793 -178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 4.6 tppp? -66.24 -8.08 22.45 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -103.04 -40.9 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -124.39 -50.91 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.47 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 53.2 m-85 -137.36 63.09 1.57 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.686 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 55.9 ttp -51.54 -19.92 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.719 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -81.19 -49.9 10.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.47 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.1 mt -66.99 -50.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.615 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -56.12 -30.96 62.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.561 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.4 t-20 -52.98 -32.59 47.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.957 0.408 . . . . 0.0 110.833 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.28 67.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.51 -45.24 60.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.031 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -54.69 -27.05 37.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.28 -37.07 80.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.724 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -56.94 -28.83 62.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.65 -34.56 38.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.808 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -54.09 -39.51 66.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.8 tp10 -77.56 -29.23 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.613 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.63 63.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.73 -50.04 56.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.703 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.63 -18.09 61.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.619 0.247 . . . . 0.0 111.444 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -76.89 -17.13 59.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.277 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.126 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.79 -29.55 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.081 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.435 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 47.7 t -60.87 -34.46 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.11 -29.93 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -72.7 -35.37 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.476 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 19.0 ptt180 -82.07 -45.12 15.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.57 -52.53 63.04 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.68 -49.47 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 HG13 ' A' ' 62' ' ' VAL . 9.8 tt -56.15 -33.54 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.689 HD11 HD21 ' A' ' 52' ' ' LEU . 87.0 mt -77.68 -58.44 3.26 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 4.0 pp -54.23 -24.43 18.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.836 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.433 HG21 HD11 ' A' ' 81' ' ' LEU . 83.5 m -60.1 -32.51 71.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -41.47 4.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.776 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD13 HD11 ' A' ' 17' ' ' ILE . 4.1 mm? -59.1 -35.99 74.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 111.196 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.34 -4.39 55.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.691 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -115.16 -6.38 12.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.581 HD11 HD13 ' A' ' 14' ' ' LEU . 48.8 pt -106.15 159.74 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -88.49 169.87 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.4 -35.47 77.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.76 -45.8 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.075 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.72 -28.58 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 26' ' ' LYS . 9.7 tt -56.23 -40.75 74.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.12 -29.74 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.386 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -72.44 -42.54 64.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.431 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.86 -51.58 69.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.332 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HZ3' HD21 ' A' ' 48' ' ' LEU . 4.1 mptp? -60.56 -41.69 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.456 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.53 -27.16 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.744 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.74 -56.84 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -72.54 -52.65 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 0.0 111.606 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.641 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -98.35 92.28 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -90.41 -49.87 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.715 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.07 -1.11 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.767 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 70.6 m-85 -92.63 -24.85 18.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.244 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 41.88 68.27 0.48 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.833 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.1 mt -57.07 137.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.929 0.395 . . . . 0.0 111.036 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 129.33 41.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.125 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -67.67 -29.64 68.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.475 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -70.48 -39.45 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.559 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -67.56 -17.5 64.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.996 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD22 ' HE3' ' A' ' 26' ' ' LYS . 97.6 mt -47.06 -24.23 0.61 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.84 -56.38 21.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.41 14.16 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -59.37 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -58.15 -53.93 52.65 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.262 -178.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.7 ptm180 -81.58 -61.4 1.94 Allowed 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.401 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 79.1 p -82.85 -57.14 3.43 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -66.0 -60.18 3.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -174.064 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.6 HD21 ' HZ3' ' A' ' 26' ' ' LYS . 19.8 mt -58.78 -39.98 82.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.85 -56.31 22.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.0 m-20 -69.44 -34.64 74.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.27 -58.56 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.689 HD21 HD11 ' A' ' 10' ' ' LEU . 3.1 pp -55.75 -32.55 63.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.5 mt -56.25 -36.39 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 111.448 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -73.13 -27.52 61.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.626 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -72.68 -58.9 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.34 -35.47 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.03 -178.36 25.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.15 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.33 -69.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 111.524 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.84 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.086 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -55.19 -45.64 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.634 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -69.71 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.568 HG13 HD22 ' A' ' 9' ' ' LEU . 65.7 t -58.13 -30.95 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 111.229 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.9 m -64.09 -55.02 25.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -71.32 -25.23 62.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.69 -30.59 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 82' ' ' GLU . 42.8 mm -68.25 -48.28 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.475 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -58.64 -38.11 77.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.761 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.82 -51.78 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.895 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.32 -42.73 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.167 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.7 pt20 -63.55 -54.03 42.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.927 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.8 mttp -67.54 -7.73 28.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -106.05 -41.39 5.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -125.17 -51.11 1.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -137.85 63.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.0 ptp -51.05 -19.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.767 0.317 . . . . 0.0 111.025 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -80.66 -48.61 12.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.67 -44.41 86.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.972 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.69 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 54.6 t30 -53.0 -32.77 48.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.0 66.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.463 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 12' ' ' THR . 4.1 mm? -72.45 -45.97 57.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.938 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -55.54 -26.12 41.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.485 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.21 -33.22 72.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -63.88 -29.79 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -52.19 -34.94 47.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.038 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -54.34 -54.36 41.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -28.9 69.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.467 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -52.57 -53.01 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.411 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -70.97 -19.45 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.344 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 30.3 mtpp -73.33 -15.43 61.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt -96.07 -4.36 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 78.6 mtp -96.31 10.86 36.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.0 p -131.15 161.45 32.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.304 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.865 179.828 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.832 0.348 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.88 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.081 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.634 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.3 m -62.93 -35.93 81.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.58 -30.34 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -73.35 -35.08 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.465 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.634 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 15.9 ptt180 -80.79 -44.22 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.775 0.321 . . . . 0.0 111.441 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 40.4 tt0 -62.88 -51.52 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.69 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.34 -49.68 68.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.613 HD22 HG13 ' A' ' 62' ' ' VAL . 10.1 tt -56.06 -43.56 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 52' ' ' LEU . 85.4 mt -68.81 -61.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.2 pp -51.86 -23.86 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.05 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.6 m -55.13 -32.5 62.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 111.301 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.62 -35.22 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.135 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.24 -52.72 60.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.317 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.38 10.83 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.515 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -128.95 30.57 5.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.698 0.285 . . . . 0.0 111.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -140.08 154.76 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.992 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -64.78 168.6 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.292 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.43 -41.16 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.18 -42.68 99.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -75.32 -28.4 59.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.43 -44.49 80.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.71 -30.05 51.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.48 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -56.38 -54.36 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.554 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' NZ ' ' HG ' ' A' ' 48' ' ' LEU . 60.7 mttm -58.79 -30.34 67.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -72.68 -34.67 67.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.412 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -78.9 -52.22 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.512 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -63.19 -52.6 61.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HG ' ' HB ' ' A' ' 35' ' ' ILE . 1.8 mm? -98.03 91.12 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -90.9 -50.3 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -96.34 -15.95 21.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.414 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.9 m-85 -78.95 -23.82 44.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.368 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 44.77 64.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.546 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 18.3 tt -66.08 135.62 28.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.708 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -61.41 123.09 16.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.698 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.77 -24.35 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.143 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.8 p -64.05 -28.83 70.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 36' ' ' ALA . 67.6 p -59.74 -18.02 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.706 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.83 -18.93 0.32 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.9 -42.29 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 m -142.63 14.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.46 -38.69 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.93 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.07 -55.06 39.63 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.293 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 46' ' ' THR . 12.6 ptm180 -81.46 -62.22 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.414 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 71.1 p -84.16 -58.63 2.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 -175.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.663 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -70.08 -59.98 2.57 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -59.9 -34.76 73.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.59 -54.93 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.53 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.4 t70 -68.85 -34.9 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -59.52 -56.69 18.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 10' ' ' LEU . 3.3 pp -54.56 -32.23 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 52' ' ' LEU . 86.2 mt -60.17 -31.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.065 0.459 . . . . 0.0 110.923 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -73.17 -27.26 61.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.06 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.4 p -80.76 -57.01 3.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.734 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.73 -35.41 3.22 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.12 -179.07 18.71 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.528 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.62 -70.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.87 73.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -67.34 -51.57 50.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -71.68 -44.02 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.613 HG13 HD22 ' A' ' 9' ' ' LEU . 76.9 t -58.89 -32.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 p -73.57 -50.55 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.292 . . . . 0.0 111.575 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.94 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.211 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.95 69.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 82' ' ' GLU . 35.1 mm -65.02 -44.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.385 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.43 -38.19 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.789 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 50.1 mt -75.7 -52.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 111.7 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.98 -37.35 71.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.221 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.673 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -68.87 -55.31 11.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.973 0.416 . . . . 0.0 111.46 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 96.8 mttt -67.15 -7.61 24.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -108.44 -40.73 5.04 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.33 -50.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.518 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 39.9 m-85 -137.01 63.01 1.58 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.673 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 46.5 ttm -51.82 -21.17 2.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -81.14 -51.48 8.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.674 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.518 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 63.3 mt -65.38 -48.13 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.8 43.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.788 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 t30 -55.72 -39.23 70.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.33 66.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.382 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.485 HD21 ' HG ' ' A' ' 9' ' ' LEU . 59.4 tp -72.13 -43.46 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.982 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.538 ' HB3' HG21 ' A' ' 66' ' ' ILE . 10.4 pt-20 -59.31 -25.83 64.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.384 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.6 ttpm? -59.74 -28.25 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -50.65 -34.57 26.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.788 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -53.06 -38.07 62.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.766 0.317 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.62 -29.49 51.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.44 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.519 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -53.11 -55.1 26.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -69.54 -28.81 66.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -63.05 -23.6 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -109.18 -9.75 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.1 tpt -87.32 -24.11 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.5 t -59.42 143.36 49.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.259 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.499 -0.762 . . . . 0.0 111.052 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.81 71.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.786 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 53.4 m -59.32 -35.41 73.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.5 -30.13 61.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -68.53 -39.01 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.602 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.8 ptt180 -82.13 -33.39 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.52 -48.7 47.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.501 ' HA ' HD22 ' A' ' 11' ' ' LEU . 50.9 tpp -68.92 -49.5 57.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.847 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.45 HD22 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -56.37 -37.19 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 mm? -75.69 -52.72 9.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -61.87 -23.49 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.767 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.449 ' N ' HD23 ' A' ' 11' ' ' LEU . 54.9 m -54.98 -35.91 64.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.83 -37.77 4.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.199 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 10' ' ' LEU . 4.5 mm? -57.58 -45.17 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.81 0.305 . . . . 0.0 111.366 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.04 10.39 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.49 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -123.56 -18.98 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 22' ' ' LEU . 41.1 pt -93.97 159.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.317 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 p -78.15 169.36 18.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.293 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.51 -40.13 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.46 -44.66 93.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.777 0.323 . . . . 0.0 111.056 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.4 -28.3 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.636 HD21 HD22 ' A' ' 40' ' ' LEU . 9.5 tt -55.56 -48.27 75.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.13 -32.72 73.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.143 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.64 -55.85 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.622 ' HD2' HD21 ' A' ' 48' ' ' LEU . 1.3 mppt? -60.7 -31.55 70.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -68.61 -33.75 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.9 -55.53 4.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.705 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -70.84 -51.81 24.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.789 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 29' ' ' ALA . 1.7 mm? -96.94 90.78 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.7 p -91.48 -49.58 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.8 -10.25 29.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.604 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 77.4 m-85 -84.02 -25.49 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.101 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 41.09 68.41 0.43 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.104 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 20.8 mt -65.68 136.46 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 132.5 53.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.92 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -67.18 -20.32 65.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.443 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -73.16 -33.15 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.482 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.502 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 72.5 p -71.02 -17.85 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.748 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.636 HD22 HD21 ' A' ' 22' ' ' LEU . 85.9 mt -50.74 -17.64 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.017 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.26 -47.94 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -122.96 13.98 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.85 -30.32 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.426 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.5 p-10 -58.42 -54.61 45.09 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.519 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' H ' ' HG2' ' A' ' 45' ' ' ARG . 25.5 ptt180 -81.0 -61.31 2.0 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.6 t -82.29 -56.4 3.93 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -69.69 -60.47 2.29 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -174.266 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 26' ' ' LYS . 42.4 mt -60.48 -51.32 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -52.36 -54.29 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.026 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.552 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.7 t70 -68.2 -34.94 77.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 33' ' ' PHE . 36.1 t60 -66.1 -56.91 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.6 pp -50.46 -32.41 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.602 HD11 ' HD2' ' A' ' 6' ' ' ARG . 81.2 mt -55.99 -39.22 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.77 -27.28 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.576 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -68.25 -58.33 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.19 2.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.775 0.321 . . . . 0.0 111.687 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.79 -176.91 24.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.031 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -68.19 -69.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.14 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.858 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -66.21 -47.43 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.87 -46.25 58.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.45 HG13 HD22 ' A' ' 9' ' ' LEU . 94.1 t -57.99 -32.55 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 p -72.16 -55.17 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -23.17 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.397 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.84 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG22 ' OE1' ' A' ' 70' ' ' GLN . 28.7 mm -63.49 -43.76 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.93 -36.72 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.985 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 66.1 mt -73.63 -51.21 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.682 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.81 -40.77 96.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -66.21 -58.82 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 40.0 ttmt -64.52 -7.68 11.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.3 mm? -99.15 -41.18 7.63 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -124.68 -51.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.66 ' HB3' HG22 ' A' ' 77' ' ' ILE . 90.8 m-85 -138.7 62.91 1.54 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.661 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.8 ptp -52.15 -12.07 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -80.91 -51.99 7.96 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.66 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.2 tt -71.89 -47.17 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.486 ' N ' HG23 ' A' ' 77' ' ' ILE . . . -59.18 -30.93 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.507 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 50.0 t30 -52.98 -45.87 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -32.33 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.607 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.418 HD13 HG21 ' A' ' 12' ' ' THR . 57.7 tp -60.33 -34.93 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 8.1 pt-20 -58.02 -26.11 62.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -32.78 68.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.679 0.275 . . . . 0.0 111.227 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -53.08 -30.18 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.436 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.94 -34.87 66.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.111 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -54.87 -44.96 74.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.9 tp10 -76.72 -28.67 55.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.85 68.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.938 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.66 -46.34 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.8 ptt180 -73.2 -21.17 60.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.63 -13.15 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp -103.16 9.49 38.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.2 mmt -105.47 -11.23 16.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.7 p -73.76 134.38 43.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.986 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.91 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.94 -34.12 76.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.578 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 47.8 t -61.55 -40.56 95.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.37 -29.81 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.11 -35.79 71.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.323 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.578 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 30.5 ptt85 -82.1 -47.04 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 111.558 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 44.4 tt0 -61.9 -50.03 73.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.897 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.26 -49.48 69.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.81 -32.24 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 6' ' ' ARG . 3.9 mm? -80.73 -54.39 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -58.94 -27.36 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 p -63.65 -8.85 11.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.34 -37.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.573 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.78 -44.97 69.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.19 10.4 5.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.753 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -115.81 -26.5 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.621 0.248 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.602 HD11 HD23 ' A' ' 22' ' ' LEU . 38.6 pt -92.15 165.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 77.6 p -75.62 165.32 25.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.588 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' ' 22' ' ' LEU . 13.0 mm-40 -59.7 -44.18 93.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.65 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -35.64 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.439 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 50.1 mt-10 -76.56 -27.93 56.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.237 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 17' ' ' ILE . 76.6 mt -53.36 -49.1 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.554 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -69.38 -31.06 69.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 50.9 mtp180 -60.14 -47.03 87.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -71.77 -42.93 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.39 -38.25 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -71.96 -29.14 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.328 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.07 -54.74 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.3 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -66.63 -51.28 57.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.227 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.1 mm? -96.9 91.42 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -90.68 -46.07 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.233 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -94.84 -16.99 22.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.296 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.3 m-85 -83.07 -25.18 32.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.581 0.229 . . . . 0.0 111.03 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 41.36 67.99 0.49 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.048 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 25.6 mt -67.67 131.91 32.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 110.574 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.0 139.77 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.722 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -61.85 -28.68 69.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.486 HG23 ' HG3' ' A' ' 47' ' ' GLU . 29.1 m -57.92 -20.65 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.36 -10.83 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.802 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.73 -39.05 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 m -143.71 13.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.687 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -51.43 -37.68 49.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.366 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.4 p-10 -57.38 -54.1 50.61 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 46' ' ' THR . 28.9 ptt180 -81.07 -62.89 1.53 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.9 t -84.09 -58.05 2.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 117.639 2.459 . . . . 0.0 117.639 -175.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.687 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 7.3 mm-40 -70.51 -60.18 2.42 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 -173.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -58.4 -41.57 85.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.976 0.353 . . . . 0.0 111.72 -178.298 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.04 -54.72 42.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.563 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.2 t70 -68.16 -36.35 79.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.29 -57.62 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.7 pp -52.6 -32.06 39.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 50' ' ' ASP . 82.4 mt -56.12 -37.8 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.758 0.313 . . . . 0.0 111.411 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -74.64 -27.23 60.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.418 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -65.63 -57.45 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.723 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.63 2.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 53' ' ' ILE . . . 150.89 -179.69 27.38 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.121 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 -70.21 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 111.307 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.75 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.988 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -63.51 -55.7 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -65.37 -47.32 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.35 -32.46 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 p -77.98 -51.73 9.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 15.1 pttp -61.47 -25.5 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.05 49.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 82' ' ' GLU . 41.7 mm -70.06 -40.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.184 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 63.1 m-20 -59.32 -40.45 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.521 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 62.5 mt -76.34 -51.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.741 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.79 -31.84 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.678 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -70.28 -58.03 4.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 27.1 ttpp -67.44 -7.81 28.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.1 mm? -104.16 -40.94 5.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -177.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 41.6 t-20 -124.73 -51.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 25.9 m-85 -138.04 63.15 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.678 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.0 ptm -51.22 -19.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.63 0.253 . . . . 0.0 111.109 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -81.3 -51.47 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.516 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.462 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 72.5 mt -64.36 -46.03 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.855 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.69 44.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.81 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 92.2 m-20 -56.41 -43.09 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.875 0.369 . . . . 0.0 111.227 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.18 65.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.46 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.46 -43.98 65.63 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.4 pt-20 -56.07 -25.38 44.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.65 0.262 . . . . 0.0 111.28 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -56.81 -33.2 66.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.17 -30.03 61.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -53.49 -36.7 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -59.56 -37.23 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.7 tt0 -76.4 -28.94 56.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.39 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.75 -54.96 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.671 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 15.1 ptm180 -69.07 -23.08 63.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.496 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -74.43 -42.81 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 mp -89.8 3.3 53.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.4 ttt -75.76 -21.15 57.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.7 p -126.41 134.8 50.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.799 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -30.01 71.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.565 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.1 m -61.25 -33.93 74.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.18 -30.32 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -73.12 -35.13 66.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.038 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 16.2 ptt180 -82.13 -38.86 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.14 -52.18 30.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.742 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 13.5 tpt -63.01 -48.85 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.6 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 66' ' ' ILE . 3.3 tm? -56.0 -46.26 78.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.273 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 14' ' ' LEU . 2.9 mm? -62.33 -57.45 11.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.548 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.5 pp -60.31 -23.43 64.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.529 HG21 HD11 ' A' ' 81' ' ' LEU . 90.7 m -52.91 -26.14 13.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.75 0.31 . . . . 0.0 111.395 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -107.83 -42.49 1.43 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.973 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 HD11 ' A' ' 17' ' ' ILE . 4.1 mm? -57.2 -45.56 83.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.8 10.62 4.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.526 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -130.79 16.17 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.048 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.546 HD11 ' HG ' ' A' ' 22' ' ' LEU . 44.6 pt -131.96 163.21 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 77.2 p -83.81 165.25 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.21 -43.52 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.404 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.5 -45.76 92.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.66 -28.56 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.616 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 17' ' ' ILE . 3.6 tt -68.52 -37.86 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.1 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.73 -34.04 77.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -73.31 -48.94 30.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -56.36 -54.35 46.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.653 ' HE2' HD21 ' A' ' 48' ' ' LEU . 18.3 ttmt -54.52 -40.27 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -72.87 -24.32 60.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.52 -55.25 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.259 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.96 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.72 90.97 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.0 p -91.48 -48.56 6.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.816 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -93.17 -10.93 34.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.941 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.59 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.4 m-85 -79.43 -24.42 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.09 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 42.03 68.16 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.89 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 mt -76.69 128.28 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.705 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -50.36 132.34 24.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.779 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' A' ' 40' ' ' LEU . 35.8 ptt180 -66.9 -21.72 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.261 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -69.24 -28.91 66.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.342 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.498 HG23 ' HB3' ' A' ' 36' ' ' ALA . 46.9 p -67.19 -17.8 64.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.952 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 37' ' ' ARG . 7.4 mp -46.02 -23.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.21 -54.03 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.652 0.263 . . . . 0.0 111.399 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.2 14.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.641 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.43 -30.91 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 6.2 p-10 -58.98 -54.52 46.19 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.097 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -81.02 -60.76 2.18 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -82.32 -57.41 3.38 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.641 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -69.48 -60.31 2.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -174.107 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.653 HD21 ' HE2' ' A' ' 26' ' ' LYS . 52.6 mt -60.48 -53.02 62.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.91 -54.37 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.71 -34.6 77.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -69.03 -56.76 6.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.0 pp -50.46 -32.42 17.92 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 52' ' ' LEU . 95.3 mt -55.67 -42.89 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 111.737 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.65 -27.42 68.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.543 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 t -69.85 -58.58 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.32 -35.28 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.16 -176.73 24.94 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.106 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -70.58 -69.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.84 74.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.743 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.18 -50.16 72.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.996 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -70.32 -41.81 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 58' ' ' ALA . 71.5 t -59.92 -30.86 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.191 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.9 m -71.4 -56.02 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 16.4 pttp -61.31 -33.52 73.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.88 -30.93 48.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.476 HD11 HD21 ' A' ' 9' ' ' LEU . 48.3 mm -64.91 -45.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.274 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.5 m-20 -66.3 -47.11 74.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.919 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.8 mt -62.44 -47.37 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.805 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -67.67 -46.26 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.4 pt20 -59.36 -55.32 36.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 111.78 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.25 -7.24 12.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.741 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -109.59 -40.46 4.85 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.12 -50.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' HE2' HG22 ' A' ' 17' ' ' ILE . 61.2 m-85 -137.3 63.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.685 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.26 -20.06 1.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.777 0.322 . . . . 0.0 111.038 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -81.06 -51.26 8.68 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 59.0 mt -61.61 -50.0 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.882 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.29 64.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.978 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.8 t-20 -52.36 -36.0 52.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 111.316 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -32.79 65.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.863 0.363 . . . . 0.0 111.21 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 12' ' ' THR . 3.8 mm? -72.67 -42.2 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.9 pt-20 -55.09 -25.91 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.98 -33.06 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.45 -29.34 64.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.307 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -51.64 -34.92 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.031 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.26 -38.69 74.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -77.08 -29.04 54.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.634 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.12 -28.64 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -54.53 -54.07 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.318 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 9.0 mtpm? -79.45 -31.45 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.34 9.59 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.06 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 88.5 mmm -88.0 -24.61 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.1 t -114.37 152.05 32.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.053 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.2 t30 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.846 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.671 0.272 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.27 -37.15 74.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.028 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.522 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 48.7 m -60.42 -28.03 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.65 -43.81 45.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.58 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.22 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 62' ' ' VAL . 86.5 mtm180 -82.17 -57.88 3.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.503 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.0 tt0 -58.73 -52.88 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.14 -40.25 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.586 HD21 HD11 ' A' ' 66' ' ' ILE . 2.9 tm? -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.575 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.612 ' HG ' HD21 ' A' ' 52' ' ' LEU . 4.4 mm? -83.55 -55.75 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.467 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.52 -23.93 11.89 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.435 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.9 p -67.8 -0.21 3.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 111.467 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.64 -42.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.318 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -61.44 -46.75 88.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -74.69 -5.5 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.41 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -110.47 16.42 21.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.54 HD11 HD23 ' A' ' 22' ' ' LEU . 45.5 pt -135.17 169.49 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.19 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.2 p -89.25 174.8 7.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.6 mp0 -67.21 -39.08 86.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.463 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 11.3 pt-20 -58.43 -34.4 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.95 -28.64 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.611 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 19' ' ' GLU . 98.2 mt -58.23 -49.55 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.616 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 20' ' ' GLU . 22.7 pttp -63.54 -29.37 70.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.704 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -73.13 -37.85 66.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.688 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -71.22 -47.04 59.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -64.66 -32.47 74.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.331 -179.595 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -71.83 -30.66 65.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.751 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -79.84 -54.66 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.601 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -69.35 -52.65 25.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.8 mm? -97.37 90.44 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -91.72 -50.82 5.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -96.85 -15.06 21.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.449 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -77.81 -23.82 48.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.041 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 45.49 67.7 0.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 14.8 tt -66.19 142.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -68.99 122.44 18.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.564 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.477 ' HA ' HD13 ' A' ' 40' ' ' LEU . 38.5 ptt180 -67.27 -25.25 65.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.403 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -65.73 -28.88 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.498 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.598 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.4 p -66.65 -18.22 65.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 37' ' ' ARG . 9.3 mp -49.74 -17.59 0.36 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -57.33 -40.84 78.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.91 14.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.741 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -55.13 -30.23 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.516 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.6 p-10 -57.98 -54.35 47.91 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.033 -177.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HG3' HG23 ' A' ' 46' ' ' THR . 33.1 ptt180 -81.45 -61.48 1.93 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 45' ' ' ARG . 77.3 p -82.85 -57.35 3.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -69.42 -59.78 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.036 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.741 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 77.5 mt -56.94 -48.61 77.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.25 -55.72 19.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.814 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.93 -33.97 74.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -70.69 -58.32 3.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.612 HD21 ' HG ' ' A' ' 10' ' ' LEU . 4.0 pp -57.46 -33.16 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.84 -39.7 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -59.4 -27.11 65.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.467 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.2 m -56.44 -58.36 8.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.03 -35.79 2.79 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.33 -179.04 32.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.01 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.75 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.92 -69.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 111.766 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.13 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -59.28 -44.85 92.44 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -72.22 -37.5 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 ' HG2' ' A' ' 6' ' ' ARG . 93.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.1 t -80.2 -39.13 29.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.5 pttp -71.77 -37.12 70.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 111.282 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.27 -30.99 52.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.586 HD11 HD21 ' A' ' 9' ' ' LEU . 47.0 mm -67.0 -39.49 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.371 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -67.25 -41.77 85.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.5 mt -69.9 -51.15 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -61.95 -43.31 99.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 2.5 pt20 -62.59 -56.92 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.565 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 57.4 tttm -66.78 -7.49 21.67 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -105.35 -41.05 5.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.77 -51.23 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.93 63.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.671 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 22.2 ptm -51.66 -18.75 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.652 0.263 . . . . 0.0 111.216 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -80.71 -50.42 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.236 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.09 -48.66 86.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.234 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.61 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.405 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -55.44 -35.13 65.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.349 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.5 68.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.779 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.3 -44.14 65.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.951 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.5 pt-20 -56.53 -27.81 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.89 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.07 -29.49 70.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' A' ' 82' ' ' GLU . 29.3 mtmm -51.95 -35.17 45.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.569 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -55.7 -37.84 68.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 38.3 tt0 -77.2 -29.43 54.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.653 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.33 67.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.461 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -51.49 -52.61 45.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.616 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.6 ptt180 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.387 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -71.8 -33.11 68.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.93 -6.81 41.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.175 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.0 ttp -114.1 -31.03 6.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.1 m -61.95 141.73 57.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.4 m120 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.893 -179.845 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.52 -38.32 89.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -63.04 -41.16 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.789 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -75.37 -29.86 60.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -71.59 -35.13 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.603 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HD2' HD11 ' A' ' 53' ' ' ILE . 38.8 ptt180 -81.86 -39.39 23.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.443 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.9 tt0 -71.72 -53.0 14.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.5 tpp -61.15 -50.02 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.691 HD22 HG13 ' A' ' 62' ' ' VAL . 10.1 tt -56.37 -32.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 52' ' ' LEU . 81.5 mt -80.57 -61.35 2.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.9 pp -53.18 -26.5 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 p -69.29 0.88 4.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.73 -26.03 1.82 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD12 HD22 ' A' ' 22' ' ' LEU . 3.5 mm? -82.38 -48.96 10.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.35 -3.64 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -107.15 12.34 28.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.485 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.573 HD11 HD23 ' A' ' 22' ' ' LEU . 35.9 pt -136.21 168.67 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 p -79.0 162.23 26.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.573 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -60.99 -34.37 74.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.312 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 11.7 pt-20 -60.93 -36.76 80.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.776 0.322 . . . . 0.0 110.718 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.97 -29.65 49.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 19' ' ' GLU . 89.7 mt -58.68 -48.8 79.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 60.7 pttt -68.35 -32.29 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.517 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -65.87 -52.0 53.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -54.92 -41.34 70.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.282 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -67.58 -26.69 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.3 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -73.01 -42.73 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.829 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -73.93 -53.85 9.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -62.67 -52.79 61.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 111.084 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -97.85 92.43 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -90.26 -49.15 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.695 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.31 2.97 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.789 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.634 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 56.1 m-85 -100.62 -25.04 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.208 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 41.56 68.55 0.44 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.108 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.3 140.63 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -66.62 142.34 57.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.735 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -67.45 -35.52 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.479 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.8 p -60.08 -28.71 68.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.589 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 36' ' ' ALA . 41.8 p -61.36 -23.01 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -51.31 -19.93 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.22 -38.81 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.435 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -139.66 14.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.03 0.443 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -47.5 -38.63 14.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.817 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.8 p-10 -58.58 -55.33 36.47 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 12.5 ptp180 -81.26 -61.85 1.83 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -83.1 -58.5 2.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.681 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 9.6 mm-40 -70.79 -60.68 2.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -174.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.51 -46.69 81.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 45' ' ' ARG . . . -54.18 -54.55 38.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HA ' HD12 ' A' ' 53' ' ' ILE . 18.3 t70 -67.61 -34.27 76.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -61.09 -57.92 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.2 pp -54.94 -32.55 61.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 52' ' ' LEU . 97.3 mt -61.25 -33.83 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 111.422 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -73.72 -27.3 61.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.237 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -70.38 -58.17 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.893 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.76 -35.44 2.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.92 -178.84 22.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.401 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.32 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.535 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.74 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.676 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 m -62.33 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.799 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . . . -71.92 -43.26 65.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.691 HG13 HD22 ' A' ' 9' ' ' LEU . 75.0 t -58.76 -34.82 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 59' ' ' ALA . 29.4 p -68.28 -53.04 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -70.96 -22.87 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.344 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 82' ' ' GLU . 37.6 mm -72.18 -44.43 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -60.97 -38.94 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.912 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 58.2 mt -76.23 -51.8 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.02 -39.84 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.8 pt20 -63.06 -62.14 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 25.6 ttpp -65.59 -7.71 16.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -100.63 -41.53 6.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -125.47 -52.56 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.507 ' HB3' HG22 ' A' ' 77' ' ' ILE . 87.9 m-85 -139.14 62.57 1.53 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.588 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.96 -13.83 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -80.47 -51.61 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.507 HG22 ' HB3' ' A' ' 74' ' ' TYR . 18.0 tt -70.61 -35.69 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.66 68.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.4 m120 -59.1 -34.88 72.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -40.11 66.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.823 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -41.7 67.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.015 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -56.0 -25.86 46.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.233 . . . . 0.0 111.468 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.25 -34.29 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.99 -29.79 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.74 -35.27 61.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -57.67 -48.05 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.662 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.6 tt0 -72.12 -28.96 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.8 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.68 -55.33 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.384 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptm180 -67.21 -23.05 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.196 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.85 -27.6 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 110.716 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.36 -30.0 63.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -87.86 1.94 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.791 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.5 m -78.12 141.53 38.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.916 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -69.85 -29.81 67.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.71 -38.08 58.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.69 -35.65 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.505 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.9 ptt180 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.737 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.58 -53.32 14.11 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ptm -69.85 -47.3 63.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.658 HD22 HG13 ' A' ' 62' ' ' VAL . 10.2 tt -56.08 -32.65 64.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD11 HD21 ' A' ' 52' ' ' LEU . 88.7 mt -82.77 -54.74 4.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.0 pp -58.27 -24.52 59.69 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 p -72.75 1.03 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.491 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.54 -45.81 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.635 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 HD22 ' A' ' 22' ' ' LEU . 3.6 mm? -64.61 -54.22 35.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.879 0.371 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.85 -14.27 62.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.602 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -86.67 -32.08 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 111.163 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.58 HD11 HD23 ' A' ' 22' ' ' LEU . 46.1 pt -90.74 172.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.408 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 68.7 p -80.16 169.72 17.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.3 mp0 -62.62 -45.44 92.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.47 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.84 -31.4 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.004 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.35 -29.13 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 17' ' ' ILE . 96.5 mt -58.05 -42.55 85.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -67.7 -39.32 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.424 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.77 -44.33 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.415 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -64.81 -56.47 13.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.48 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -56.89 -36.72 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.758 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -72.46 -25.54 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -77.32 -55.16 5.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.512 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 -51.25 26.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.749 0.309 . . . . 0.0 111.347 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 19.1 mt -95.34 91.3 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -91.45 -49.33 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -93.51 -10.8 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.434 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.61 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 75.6 m-85 -81.27 -23.73 37.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.076 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 42.87 66.59 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 tt -62.65 143.63 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -64.18 127.88 33.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.434 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' O ' HD13 ' A' ' 40' ' ' LEU . 35.6 ttp180 -66.71 -34.11 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.301 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.1 p -57.84 -28.58 64.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.891 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.563 HG23 ' HB3' ' A' ' 36' ' ' ALA . 43.1 p -59.84 -18.44 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 37' ' ' ARG . 6.3 mp -50.38 -16.3 0.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.71 -52.23 66.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.2 m -132.42 14.9 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.682 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -42.0 -41.03 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.65 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.8 p-10 -57.21 -53.15 61.35 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -79.88 -64.44 1.19 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -84.53 -57.84 2.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 117.873 2.545 . . . . 0.0 117.873 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.65 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.71 -60.74 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -173.535 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.33 -44.28 84.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -58.42 -54.86 42.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.5 t70 -67.88 -34.34 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -64.36 -57.63 8.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.9 pp -53.91 -32.97 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.2 mt -56.92 -46.92 83.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -27.25 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.608 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -72.23 -58.94 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.35 -35.58 2.76 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.11 176.95 20.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.405 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.91 -69.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.61 76.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -65.02 -49.81 68.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -71.52 -41.66 68.92 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 9' ' ' LEU . 77.3 t -58.75 -31.31 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.715 0.293 . . . . 0.0 111.45 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.9 m -72.49 -56.51 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.473 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.82 -29.13 70.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.87 50.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.488 HD11 HD21 ' A' ' 9' ' ' LEU . 40.2 mm -67.0 -47.44 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.412 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -65.54 -34.33 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.511 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 81.4 mt -75.32 -41.85 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.727 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -71.46 -37.81 71.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.9 pt20 -65.0 -58.82 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 23.6 ttmm -66.74 -7.96 24.7 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -100.3 -42.05 6.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -126.06 -52.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.494 ' HB3' HG22 ' A' ' 77' ' ' ILE . 85.8 m-85 -138.83 62.8 1.53 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.621 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.7 ptm -52.21 -9.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.94 -51.55 8.43 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.494 HG22 ' HB3' ' A' ' 74' ' ' TYR . 15.9 tt -69.54 -36.06 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.85 71.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.54 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 49.6 t30 -57.46 -40.69 79.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.96 -32.35 65.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.968 0.413 . . . . 0.0 111.316 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.477 HD21 ' HG ' ' A' ' 9' ' ' LEU . 67.1 tp -71.93 -41.6 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.474 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 pt-20 -57.38 -25.84 60.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.575 0.226 . . . . 0.0 111.356 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.87 -32.94 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.774 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -59.13 -29.69 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.213 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -52.38 -35.44 51.53 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.18 -36.84 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -76.57 -29.11 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.67 -28.58 61.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.56 -53.59 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.491 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.07 -17.96 61.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -83.55 -21.35 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.3 mt -98.85 8.1 45.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.781 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.1 ttp -94.5 -29.47 14.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.793 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.0 p -117.41 139.14 51.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 p30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.977 179.802 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 m -64.66 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.37 -31.4 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -76.51 -38.85 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.543 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -75.76 -34.94 60.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' HG2' HD23 ' A' ' 11' ' ' LEU . 40.4 tt0 -71.78 -52.5 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.74 -43.86 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.822 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 66' ' ' ILE . 3.0 tm? -57.95 -31.93 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -83.58 -60.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 7' ' ' GLU . 3.9 pp -56.31 -25.92 50.37 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.462 HG23 HD13 ' A' ' 81' ' ' LEU . 13.1 t -63.2 -5.65 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.78 -41.38 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.423 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.85 -47.51 84.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.34 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.33 9.44 7.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -129.19 23.51 5.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.598 0.237 . . . . 0.0 111.618 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.8 pt -134.81 153.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 0.0 111.332 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -67.58 166.28 15.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.5 -34.79 76.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 11.2 pt-20 -62.7 -46.03 90.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.035 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HG2' ' HG3' ' A' ' 20' ' ' GLU . 11.0 mm-40 -77.19 -28.24 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.708 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 40' ' ' LEU . 43.7 tp -53.18 -46.55 68.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.393 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -73.56 -34.39 65.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.399 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.42 -38.18 79.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.88 -52.24 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.196 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -61.97 -30.87 71.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -66.73 -44.65 81.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.518 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.69 -54.92 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.647 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.95 65.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.768 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.47 HD13 HD13 ' A' ' 35' ' ' ILE . 7.5 mt -97.26 90.45 5.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.3 p -92.14 -49.99 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.533 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.12 -14.07 23.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.752 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.443 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 79.7 m-85 -77.82 -25.39 48.8 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.01 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 40.99 67.67 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.379 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.47 HD13 HD13 ' A' ' 30' ' ' LEU . 1.7 mp -75.08 137.67 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.511 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -66.9 -33.05 74.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -59.45 -28.57 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.715 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.517 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 41.3 p -66.73 -17.59 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 22' ' ' LEU . 68.7 mt -50.7 -16.59 0.41 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.01 -38.97 84.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.703 0.287 . . . . 0.0 111.411 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.5 14.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.685 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -52.86 -30.04 31.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.5 p-10 -58.24 -54.19 49.73 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.734 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -81.25 -60.77 2.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.7 t -82.49 -56.61 3.78 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 117.438 2.384 . . . . 0.0 117.438 -175.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.644 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -67.02 -60.11 2.91 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 17.6 mt -58.48 -50.69 72.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.53 -55.06 24.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.12 -34.72 76.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -74.57 -58.66 3.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.06 -35.55 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.9 mm -60.59 -42.88 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.59 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.01 -26.56 60.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.594 0.235 . . . . 0.0 111.422 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.8 t -56.44 -58.03 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.55 -35.58 2.9 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.61 25.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.437 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.64 -69.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 m -64.46 -50.81 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.24 -39.06 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 58' ' ' ALA . 44.1 t -57.94 -35.2 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 p -71.57 -54.6 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 111.755 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -23.08 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.88 75.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 82' ' ' GLU . 26.6 mm -69.09 -38.42 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -60.86 -42.49 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.518 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.4 mt -75.34 -44.33 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.28 -46.41 89.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.211 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.678 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -62.23 -57.52 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.514 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.9 tttm -65.23 -8.06 15.8 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -99.21 -42.09 7.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.88 -52.03 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.647 ' HB3' HG22 ' A' ' 77' ' ' ILE . 52.7 m-85 -138.55 63.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.678 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 58.2 ttp -52.22 -12.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.619 0.247 . . . . 0.0 111.535 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -80.57 -51.83 8.3 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.647 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.6 tt -71.59 -38.2 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.182 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 42.4 t30 -56.38 -40.66 74.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.93 -32.31 65.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.507 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.462 HD13 HG23 ' A' ' 12' ' ' THR . 55.2 mt -70.04 -46.2 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.049 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.0 pt-20 -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.553 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -56.81 -33.17 66.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.392 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.416 ' NZ ' HD23 ' A' ' 9' ' ' LEU . 6.6 ttpm? -56.7 -29.5 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.326 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.91 -35.23 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' NZ ' ' A' ' 86' ' ' LYS . 10.4 mtmp? -55.23 -49.02 73.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 43.0 tt0 -71.54 -29.65 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.768 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.47 68.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.368 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.473 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptp180 -72.21 -21.59 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.332 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 27.6 mtpp -70.61 -34.54 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.02 1.96 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.7 ttp -91.66 -29.2 17.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.1 p -64.36 138.13 58.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.007 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.012 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.485 ' HB2' HH21 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -62.44 -29.41 70.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.962 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -55.26 -31.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.417 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.88 -31.85 73.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -77.58 -25.43 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.485 HH21 ' HB2' ' A' ' 2' ' ' GLU . 15.9 mmt180 -81.74 -54.43 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.471 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.535 ' HG3' ' HA ' ' A' ' 45' ' ' ARG . 37.9 tt0 -61.63 -53.19 59.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.342 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.19 -49.19 78.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD22 HG13 ' A' ' 62' ' ' VAL . 8.2 tt -55.99 -31.35 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.747 HD11 HD21 ' A' ' 52' ' ' LEU . 76.2 mt -80.99 -60.48 2.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.23 -25.93 16.01 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.419 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.4 p -63.48 -8.34 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.748 0.309 . . . . 0.0 111.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -122.83 -41.28 0.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.184 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.8 mm? -58.01 -43.13 86.52 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.927 0.394 . . . . 0.0 110.731 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.98 10.69 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.333 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.55 19.41 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 13' ' ' GLY . 41.7 pt -130.96 164.23 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.359 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.8 m -92.04 155.34 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.44 -31.84 68.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.483 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 11.9 pt-20 -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mt-10 -77.86 -28.41 50.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -54.27 -43.83 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.2 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -60.83 -31.4 70.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.268 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.56 -43.94 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.507 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.62 -50.35 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.5 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE3' HD22 ' A' ' 40' ' ' LEU . 4.0 mptp? -60.49 -40.74 92.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.733 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -71.84 -38.57 70.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.828 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.93 -56.26 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.07 18.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.392 . . . . 0.0 111.266 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.704 HD13 ' HB ' ' A' ' 35' ' ' ILE . 14.4 mt -97.71 90.86 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -91.65 -50.13 5.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.433 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -95.99 -7.12 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.785 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -84.55 -24.63 29.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.557 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 41.98 68.12 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.704 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.0 tt -60.63 147.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.141 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 123.49 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -67.19 -29.86 69.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.932 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -70.76 -37.16 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.485 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.607 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 75.7 p -66.25 -18.45 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.569 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD22 ' HE3' ' A' ' 26' ' ' LYS . 96.3 mt -52.1 -19.86 2.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.508 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.19 -61.57 2.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.045 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.22 14.14 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.655 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.51 -54.22 48.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.613 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.535 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 27.2 ptt180 -81.54 -62.91 1.51 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.416 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 28.1 m -84.18 -57.44 3.18 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.44 -59.64 2.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -173.634 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -53.63 -38.46 64.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.262 0.483 . . . . 0.0 112.066 -178.114 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -63.64 -55.1 26.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.892 0.331 . . . . 0.0 111.892 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.64 -33.83 75.74 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.86 -57.85 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.747 HD21 HD11 ' A' ' 10' ' ' LEU . 4.2 pp -58.12 -32.6 68.29 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 52' ' ' LEU . 93.2 mt -58.23 -34.64 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.381 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -75.17 -27.46 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -69.98 -57.68 4.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.662 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.68 -35.29 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.23 -178.63 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.248 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.96 -69.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . . . -68.11 -37.21 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.801 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.3 m -61.17 -53.79 52.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.44 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -68.36 -47.89 66.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.633 HG13 HD22 ' A' ' 9' ' ' LEU . 85.1 t -58.59 -34.47 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.6 m -66.0 -55.24 17.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.633 0.254 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.96 64.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -36.97 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.571 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 9' ' ' LEU . 40.2 mm -64.83 -41.28 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.255 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -44.03 97.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.83 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -71.39 -51.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.79 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -54.92 -49.61 70.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.676 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.9 pt20 -58.73 -56.39 22.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 111.915 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 98.4 mttt -66.62 -7.63 21.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.9 mm? -105.71 -41.01 5.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -124.54 -51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.433 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 69.9 m-85 -137.69 62.42 1.58 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.676 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.2 ptt? -52.12 -18.67 1.55 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -80.81 -51.28 8.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.057 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.6 mt -65.57 -47.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.468 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.0 -30.93 49.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.516 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.0 t-20 -52.98 -37.15 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 -33.88 66.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.321 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -43.37 65.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.898 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 9.2 pt-20 -57.72 -26.21 61.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.317 . . . . 0.0 110.88 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 mm-40 -65.32 -33.15 75.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 26.0 ttmt -60.29 -28.8 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.41 -34.98 37.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.482 ' NZ ' ' HB2' ' A' ' 86' ' ' LYS . 4.7 ttmp? -50.77 -46.78 59.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 33.0 tt0 -77.67 -31.2 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.98 -28.6 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.498 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.25 -51.64 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.82 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 40.7 ptt180 -72.89 -13.15 61.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.526 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -78.66 -11.74 59.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.722 0.296 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.19 8.68 30.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.5 mmt -108.62 -7.06 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -125.75 164.36 20.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.919 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.51 -29.92 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -62.14 -30.0 70.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.46 -32.89 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -66.89 -38.69 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.497 HH11 HG13 ' A' ' 53' ' ' ILE . 38.4 ptt180 -81.0 -45.54 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -49.07 77.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.594 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.36 -49.43 66.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.884 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 66' ' ' ILE . 22.7 tp -60.1 -31.46 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.691 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.99 -60.3 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.2 pp -54.23 -26.16 27.08 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.14 -3.15 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.236 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.82 -40.77 0.48 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.245 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -59.92 -48.29 82.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 110.703 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.14 9.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.52 17.69 9.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 22' ' ' LEU . 23.1 pt -131.14 151.6 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.373 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.7 p -63.96 172.95 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -68.15 -43.32 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.22 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.01 -46.55 87.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.31 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -70.25 -28.61 65.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 40' ' ' LEU . 62.0 tp -58.58 -37.04 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.021 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.1 -33.56 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.5 -44.75 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.538 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.86 -57.02 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.235 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HB3' HG21 ' A' ' 35' ' ' ILE . 26.9 mtpp -58.8 -37.21 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -70.21 -25.83 63.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -79.3 -54.13 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -64.96 -51.5 61.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.1 mm? -92.99 90.23 6.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.823 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.2 p -91.93 -49.93 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.31 -16.56 21.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.039 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -77.99 -23.11 48.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 47.35 68.08 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' ' 26' ' ' LYS . 4.9 tp -54.99 158.2 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.98 127.83 47.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.96 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 14.2 ptm180 -66.71 -21.56 66.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.331 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.4 t -59.55 -32.3 70.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 111.041 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.545 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.9 p -77.33 -18.31 57.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.821 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 10.6 tp -43.53 -23.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.301 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.55 -54.57 45.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.533 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -125.7 14.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 111.373 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.676 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -51.78 -30.07 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.3 -55.05 39.99 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.452 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' H ' ' A' ' 46' ' ' THR . 11.8 ptp180 -81.28 -61.84 1.83 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.413 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 71.8 p -83.3 -57.15 3.38 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 -175.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.668 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -69.33 -59.75 2.79 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -173.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.676 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 40.8 mt -54.31 -43.77 71.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.32 0.509 . . . . 0.0 111.269 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.569 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.14 -54.89 33.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.97 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.43 -34.1 76.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -72.28 -58.11 3.67 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.17 -33.08 73.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.13 -40.78 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.574 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -57.97 -26.56 62.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.613 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -56.23 -57.7 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.7 -35.68 2.86 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.41 177.48 27.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.193 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.734 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.39 -69.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.34 77.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.7 p -65.01 -56.29 14.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -59.16 -43.5 92.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 58' ' ' ALA . 59.5 t -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -72.73 -48.22 40.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 11.7 pttp -71.17 -25.12 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.34 -31.13 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 9' ' ' LEU . 35.7 mm -67.73 -41.48 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.95 -37.41 75.84 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.5 mt -73.05 -46.1 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.09 -32.17 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.699 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.7 pt20 -69.2 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 24.9 ttpp -64.42 -7.83 11.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -101.11 -41.28 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -124.67 -51.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -138.13 63.37 1.54 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.699 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.1 ptp -50.9 -19.72 1.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.608 0.242 . . . . 0.0 111.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -81.42 -43.83 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.133 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -71.15 -50.64 40.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.758 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.23 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 44.3 t-20 -53.0 -41.09 64.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.43 -42.39 65.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.967 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 5.5 pt-20 -51.55 -24.36 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.73 -33.12 54.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.669 0.271 . . . . 0.0 111.399 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.29 -30.27 59.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.199 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.44 -36.06 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.254 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -71.13 -34.9 71.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.4 -30.2 57.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.066 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -28.53 65.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.77 -54.51 27.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -73.76 -20.95 60.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -83.36 -9.14 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.5 mt -116.43 -0.13 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.873 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.5 ttt -91.76 -34.48 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.799 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.7 p -111.6 158.98 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.053 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.759 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG2' ' H ' ' A' ' 3' ' ' SER . 48.2 ttm . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -29.8 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.588 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 53.1 m -59.72 -35.48 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.83 -29.83 62.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -72.96 -38.95 66.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.745 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 22.0 ptt85 -81.3 -49.21 11.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.07 -53.13 59.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 tpt -67.27 -50.47 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.42 -32.68 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.61 -56.77 4.06 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -56.83 -23.99 47.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 12' ' ' THR . 88.7 m -60.39 -11.45 6.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.855 0.359 . . . . 0.0 111.215 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.11 -21.28 3.17 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.057 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD12 HD11 ' A' ' 22' ' ' LEU . 4.1 mm? -74.76 -59.33 2.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.98 0.39 . . . . 0.0 111.18 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.28 7.31 11.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.473 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.92 19.91 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.528 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.65 158.37 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.252 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -59.39 163.62 3.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.38 -41.12 81.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.301 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.5 pt-20 -58.83 -45.02 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.154 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 44.8 mt-10 -77.58 -28.65 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.571 HD23 HD13 ' A' ' 40' ' ' LEU . 41.6 tp -60.95 -32.97 72.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -77.13 -34.69 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.14 -47.52 76.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.89 -45.08 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.264 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE3' HD21 ' A' ' 48' ' ' LEU . 34.6 mtpt -64.08 -32.2 73.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -70.89 -46.29 62.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.834 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -68.67 -50.33 51.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.678 0.275 . . . . 0.0 111.508 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.12 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.276 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD13 ' HB ' ' A' ' 35' ' ' ILE . 11.0 mt -97.23 91.15 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.9 p -92.0 -49.74 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.848 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.64 9.51 40.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.964 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.574 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.8 m-85 -104.06 -24.02 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.646 0.26 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 43.96 29.17 0.3 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.591 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.611 ' HB ' HD13 ' A' ' 30' ' ' LEU . 68.9 mt -56.49 138.15 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.877 0.37 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.74 128.83 24.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 32.4 ptt180 -66.53 -44.01 83.63 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -50.94 -28.0 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.63 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' HB2' ' A' ' 43' ' ' ALA . 23.8 m -55.91 -18.18 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.956 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.571 HD13 HD23 ' A' ' 22' ' ' LEU . 2.8 pp -52.92 -11.21 0.21 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.4 -40.53 78.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.06 3.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.689 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -54.17 -29.65 46.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.187 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.411 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 13.8 p-10 -57.99 -52.11 66.88 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -79.7 -64.07 1.27 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -83.61 -56.56 3.66 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 117.577 2.436 . . . . 0.0 117.577 -175.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.666 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.8 mm-40 -68.58 -60.22 2.57 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -173.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.689 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 48.7 mt -59.89 -52.64 64.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.46 -54.48 26.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.33 -33.95 75.22 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -73.63 -57.83 3.72 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 53' ' ' ILE . 4.4 pp -50.63 -32.01 17.73 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.5 mt -52.8 -46.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 111.756 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.67 -27.16 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.742 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.4 t -62.26 -58.66 6.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.04 -35.56 2.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.89 -178.35 29.21 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.207 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.47 -69.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.28 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.014 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.2 m -61.57 -56.04 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.918 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -59.54 -43.54 93.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 58' ' ' ALA . 98.0 t -62.23 -30.96 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 111.375 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.0 m -75.97 -50.05 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.429 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.1 pttp -65.1 -32.64 74.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.57 -31.12 56.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 HD21 ' A' ' 9' ' ' LEU . 21.4 mm -67.3 -41.08 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.55 -42.07 95.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.617 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.6 mt -71.05 -43.49 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.89 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -70.92 -40.72 71.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.687 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.1 pt20 -62.87 -57.37 11.05 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 85.4 tttt -66.05 -7.8 19.51 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -101.76 -41.5 6.51 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 14.4 m120 -125.48 -51.36 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 77' ' ' ILE . 98.2 m-85 -137.48 64.29 1.53 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -176.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.687 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.1 ptt? -50.56 -24.85 3.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -81.45 -34.24 31.59 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.594 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.407 HD12 ' CG ' ' A' ' 74' ' ' TYR . 31.5 mt -70.61 -50.48 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 111.232 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 66' ' ' ILE . . . -57.38 -30.27 64.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.576 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.1 t-20 -52.65 -41.75 64.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.163 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.49 65.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.456 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.39 -45.9 65.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.75 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -58.32 -26.31 62.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.078 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG3' ' HE3' ' A' ' 86' ' ' LYS . 40.3 tt0 -59.27 -33.28 70.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.67 -28.64 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.333 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -51.03 -34.96 31.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' HE3' ' HG3' ' A' ' 83' ' ' GLU . 10.3 mtmp? -57.64 -41.5 81.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.506 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 41.3 tt0 -76.94 -29.03 55.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.78 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.484 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -58.68 -28.57 65.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -51.77 -55.33 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.581 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 18.6 ptp180 -68.88 -15.88 63.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.046 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.4 mtpp -83.18 -21.93 33.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.77 -33.67 16.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 45.4 ttm -75.04 -30.41 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.589 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.3 m -90.83 121.26 32.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.005 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.986 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.86 -29.26 69.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 m -60.74 -41.38 95.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 8' ' ' MET . 40.7 mt-10 -75.43 -30.1 59.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.2 -36.75 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.474 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.479 HH21 ' HB1' ' A' ' 58' ' ' ALA . 5.9 ptp180 -81.96 -43.52 17.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 111.702 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.65 -52.95 62.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 mmt -70.33 -46.59 63.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.661 HD22 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -55.86 -31.79 63.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.814 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 52' ' ' LEU . 59.6 mt -84.44 -59.52 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.0 pp -57.88 -23.8 54.73 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 9' ' ' LEU . 15.2 t -65.35 -5.27 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.673 0.273 . . . . 0.0 111.299 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.09 -44.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.577 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -78.98 -2.13 38.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -113.05 14.31 19.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.43 177.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.32 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 72.6 p -95.55 174.46 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.03 -45.47 73.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.449 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.67 -42.18 78.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -77.04 -28.43 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.73 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 40' ' ' LEU . 2.7 tt -62.01 -48.71 79.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.45 -30.91 70.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -62.36 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.33 -56.52 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 35' ' ' ILE . 9.6 mtpm? -55.59 -34.25 64.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.336 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -69.12 -35.69 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.34 -53.85 8.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.45 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -59.84 -51.54 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.389 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.9 mm? -97.06 90.91 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.8 p -91.69 -50.41 5.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.697 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.75 -16.62 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.261 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.83 -22.96 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 47.71 68.11 0.71 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.338 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.479 HD13 ' HE2' ' A' ' 26' ' ' LYS . 21.6 tt -70.03 140.33 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.721 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.97 124.25 23.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.643 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -66.81 -21.42 66.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -63.73 -28.34 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' OE2' ' A' ' 47' ' ' GLU . 49.5 p -56.45 -18.38 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.852 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 22' ' ' LEU . 5.0 mp -47.75 -20.24 0.27 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -53.68 -46.25 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.19 14.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.673 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -43.5 -43.57 5.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.33 -0.85 . . . . 0.0 113.025 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -57.13 -54.73 43.44 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.472 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 45' ' ' ARG . 30.8 ptt180 -81.84 -63.34 1.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.41 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 26.2 m -85.28 -59.21 2.39 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 118.108 2.633 . . . . 0.0 118.108 -175.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.673 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 44.9 mt-10 -71.17 -59.9 2.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -173.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 48' ' ' LEU . 1.1 tt -59.88 -33.68 72.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.192 0.451 . . . . 0.0 111.646 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.78 -54.77 26.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.8 t70 -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.681 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.444 ' ND1' HD12 ' A' ' 35' ' ' ILE . 54.6 t-80 -60.76 -58.23 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.5 pp -54.7 -32.73 59.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.2 mt -56.44 -37.21 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.12 -27.33 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.344 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.1 m -65.66 -58.79 4.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.44 -35.08 2.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.805 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.22 -175.42 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.167 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB1' HH21 ' A' ' 6' ' ' ARG . . . -71.26 -69.92 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.299 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.65 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.643 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.9 m -57.8 -54.83 42.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.957 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 52' ' ' LEU . . . -67.77 -46.99 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.661 HG13 HD22 ' A' ' 9' ' ' LEU . 68.1 t -58.82 -31.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.675 0.274 . . . . 0.0 111.599 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.4 m -76.42 -54.2 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.693 0.283 . . . . 0.0 111.462 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.4 pttp -63.04 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.28 -31.24 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' A' ' 82' ' ' GLU . 34.8 mm -72.51 -42.94 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.69 -37.51 86.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.417 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -75.62 -51.17 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.667 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.35 -36.48 78.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 14.0 pt20 -67.82 -59.47 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 39.8 ttmt -65.59 -7.79 16.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -103.79 -40.8 6.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.36 -50.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -137.67 63.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.663 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.9 ptt? -51.24 -21.29 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.191 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -81.04 -50.96 9.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.483 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.74 -49.92 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.85 -30.75 46.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.0 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 57.8 t30 -57.1 -35.31 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.197 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.89 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -70.48 -38.25 74.37 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.4 pt-20 -57.3 -25.82 59.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.666 0.27 . . . . 0.0 111.56 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.13 -32.98 68.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.2 -29.82 61.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -52.08 -34.65 44.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 86' ' ' LYS . 1.5 tpmt? -51.85 -40.99 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -77.21 -28.94 53.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -53.21 -29.14 30.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.586 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.21 -53.47 57.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.312 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.42 -15.14 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.251 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -73.88 -42.06 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.846 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.8 mt -84.09 2.52 38.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 54.2 ttp -105.7 -40.48 5.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 t -59.98 149.4 32.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.218 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.0 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.57 -29.42 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.495 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 55.3 m -61.17 -31.64 71.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -75.69 -29.78 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -71.82 -41.29 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.34 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.516 ' O ' HD23 ' A' ' 10' ' ' LEU . 37.8 ptt180 -75.76 -35.37 60.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.63 -52.33 18.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.638 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.88 -49.92 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.4 -35.11 67.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.548 ' HG ' HD21 ' A' ' 52' ' ' LEU . 4.2 mm? -79.99 -56.03 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -52.8 -23.99 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.445 ' N ' HD12 ' A' ' 11' ' ' LEU . 99.3 m -56.15 -34.95 66.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 111.393 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.26 -44.99 3.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.066 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 22' ' ' LEU . 2.9 mm? -58.33 -44.12 88.55 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.861 0.331 . . . . 0.0 111.254 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.13 10.4 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.431 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -122.96 -21.76 5.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.2 pt -93.8 174.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.39 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p -91.18 -179.9 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.225 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.67 -39.93 80.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.65 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -70.48 -28.47 65.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.033 0.444 . . . . 0.0 110.305 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 14' ' ' LEU . 30.7 tp -69.39 -32.55 71.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.489 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -77.76 -38.63 46.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.21 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -70.56 -35.18 72.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -54.72 -53.05 60.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.289 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HE3' ' HG ' ' A' ' 48' ' ' LEU . 63.1 mttp -68.44 -29.64 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.384 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.61 -37.94 77.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.542 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -79.53 -54.46 5.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.65 0.262 . . . . 0.0 111.423 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.62 -52.62 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.613 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 5.7 mp -98.12 90.67 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.433 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -92.15 -49.44 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.47 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.22 0.13 53.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.58 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.658 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 87.4 m-85 -87.33 -23.43 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 44.26 52.52 7.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.222 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.438 ' HB ' HD22 ' A' ' 30' ' ' LEU . 20.5 tt -59.16 145.72 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.009 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -70.45 125.93 28.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.897 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -67.1 -18.95 65.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.447 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -70.6 -28.53 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.177 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.486 HG23 ' HB3' ' A' ' 36' ' ' ALA . 62.5 p -62.17 -18.6 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 37' ' ' ARG . 10.1 mp -51.34 -15.08 0.34 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.73 -50.46 73.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -129.79 14.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.637 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.69 -39.16 7.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.174 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.65 -54.33 47.38 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.456 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.7 ptp180 -80.69 -62.34 1.7 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.425 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 65.4 p -84.72 -59.5 2.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -175.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.685 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -71.42 -60.77 2.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -173.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' HE3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -59.22 -50.43 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.01 -55.13 30.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.28 -39.22 82.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.34 -54.65 33.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' A' ' 10' ' ' LEU . 4.4 pp -54.41 -32.57 57.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.657 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.1 mm -56.92 -41.94 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 111.183 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -57.49 -27.08 62.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.696 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 m -56.52 -58.25 8.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.09 -35.36 2.83 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.89 178.93 28.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.03 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -64.33 -69.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.692 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.43 74.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.953 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -66.37 -56.05 12.94 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -59.28 -48.31 82.1 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG13 HD22 ' A' ' 9' ' ' LEU . 85.7 t -58.05 -30.87 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.684 0.278 . . . . 0.0 111.618 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.3 m -76.34 -51.04 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -23.15 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.32 75.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.325 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.731 HD11 HD21 ' A' ' 9' ' ' LEU . 48.8 mm -66.33 -38.28 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -64.11 -41.7 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 56.4 mt -74.75 -47.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.88 -40.79 96.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.9 pt20 -63.44 -59.58 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 22.3 ttmm -66.01 -8.07 20.85 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -177.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -100.2 -41.75 6.97 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.94 -50.8 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 49.7 m-85 -136.68 62.78 1.59 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.655 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 17.2 ptp -51.66 -19.24 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.117 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -80.97 -50.27 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.063 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.423 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.2 mt -63.03 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.64 -31.13 56.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.536 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.9 t-20 -55.03 -40.2 69.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.0 -32.59 65.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.471 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.427 HD21 ' HG ' ' A' ' 9' ' ' LEU . 50.0 tp -72.26 -44.48 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -55.98 -25.96 46.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.567 0.222 . . . . 0.0 111.399 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.66 -34.03 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -57.3 -30.15 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 85' ' ' LYS . 5.7 tmmm? -57.38 -35.18 69.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.224 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.89 -50.43 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.57 -29.23 62.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.36 -28.16 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.397 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -51.21 -53.12 38.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.739 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -73.53 -20.22 60.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.453 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.29 -21.57 62.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.337 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp -101.12 10.11 41.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.421 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 64.4 mtt -100.9 -23.6 14.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.034 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.7 p -117.89 121.93 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.5 p30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.466 -0.778 . . . . 0.0 111.095 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -69.5 -30.87 68.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -60.9 -26.26 67.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.16 -29.82 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -86.57 -30.29 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.235 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.57 ' HG2' HG21 ' A' ' 62' ' ' VAL . 84.6 mtm180 -81.96 -60.08 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.526 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' HG2' HD23 ' A' ' 11' ' ' LEU . 39.1 tt0 -55.05 -52.85 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.125 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -58.09 -49.99 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.571 HD22 HG13 ' A' ' 62' ' ' VAL . 8.8 tt -58.5 -31.9 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.775 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.2 mt -78.37 -60.84 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.3 pp -55.11 -25.06 29.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 -2.7 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.16 -31.3 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.713 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 22' ' ' LEU . 3.9 mm? -72.54 -51.81 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.83 5.84 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.017 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.8 11.3 20.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 22' ' ' LEU . 39.0 pt -135.23 -178.16 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 19' ' ' GLU . 13.8 m -86.73 158.64 19.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 18' ' ' THR . 10.9 pt-20 -57.88 -42.31 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.16 -29.16 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.767 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.97 -28.15 55.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 17' ' ' ILE . 96.2 mt -58.2 -49.46 76.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.06 -30.59 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.05 -43.55 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.891 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -67.54 -35.52 79.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.612 ' HD2' HG21 ' A' ' 35' ' ' ILE . 47.9 mmtm -69.69 -40.17 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.86 -29.81 69.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.693 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -79.24 -55.71 4.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.688 0.28 . . . . 0.0 111.555 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -51.43 23.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 111.331 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD13 ' HB ' ' A' ' 35' ' ' ILE . 7.2 mt -96.77 90.55 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -92.11 -49.62 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.546 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.27 -11.36 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.379 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.583 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -77.99 -23.87 48.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.223 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 42.29 67.86 0.54 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.612 HG21 ' HD2' ' A' ' 26' ' ' LYS . 10.2 tt -73.13 148.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.067 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.77 123.37 17.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.416 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 40' ' ' LEU . 37.1 ptt180 -66.87 -27.67 67.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.377 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p -72.96 -40.76 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.68 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 70.5 p -58.85 -17.62 25.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.905 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 37' ' ' ARG . 8.5 mp -48.54 -21.17 0.52 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.843 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.2 -60.42 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.336 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 m -106.59 10.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.263 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -57.2 -29.19 63.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -57.12 -53.65 55.68 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.068 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.8 ptm180 -81.23 -61.92 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.411 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 64.5 p -83.32 -56.96 3.46 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 -175.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -65.58 -60.37 2.99 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 11.2 mt -55.53 -49.85 71.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -51.79 -55.47 19.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.02 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.29 -36.49 77.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -74.79 -59.31 2.79 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 53' ' ' ILE . 3.2 pp -63.03 -36.41 83.48 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 58' ' ' ALA . 8.5 mm -61.12 -39.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.38 -26.99 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -56.55 -58.44 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.08 -35.68 2.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.15 178.3 26.7 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.801 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.12 -69.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.01 99.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.4 m -57.78 -50.47 73.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.78 -44.69 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.571 HG13 HD22 ' A' ' 9' ' ' LEU . 70.6 t -58.34 -32.38 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.2 p -73.91 -54.06 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.66 0.267 . . . . 0.0 111.686 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.14 -24.16 67.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.095 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -31.59 66.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 82' ' ' GLU . 38.8 mm -73.88 -41.81 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.314 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -65.36 -39.33 92.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.83 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.9 mt -74.0 -46.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.752 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -62.74 -45.51 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.77 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.721 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.1 pt20 -60.58 -55.6 31.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 112.03 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 14.4 mmmm -66.37 -7.37 18.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -104.38 -41.55 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -125.38 -51.87 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -138.33 63.57 1.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.721 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 5.2 ppp? -51.66 -13.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.665 0.269 . . . . 0.0 111.439 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -81.26 -49.2 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.796 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.5 tt -70.03 -37.09 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.413 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -57.95 -30.9 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.622 0.249 . . . . 0.0 111.377 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -54.23 -34.07 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.81 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.339 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.2 mp -72.15 -46.48 56.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.813 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -57.51 -26.73 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.81 -38.12 85.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.22 -29.47 68.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.229 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 85' ' ' LYS . 9.0 mtpm? -52.14 -35.07 47.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.433 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 6.9 mtpm? -49.62 -52.29 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 7.7 tp10 -77.43 -28.84 52.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.3 -28.02 17.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.139 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 90' ' ' ARG . 11.8 pt-20 -51.43 -45.24 62.55 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.89 -21.76 60.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.733 0.301 . . . . 0.0 111.146 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -83.54 -20.87 33.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp -80.85 -22.87 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 70.7 mtm -96.66 13.73 27.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.8 m -119.25 127.86 53.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.82 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.36 -49.54 73.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -57.8 -38.0 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.408 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.5 -29.22 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.805 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -74.59 -35.0 62.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.653 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 33.0 ptt180 -77.54 -46.47 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.66 0.266 . . . . 0.0 111.621 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 42.6 tt0 -64.78 -51.88 59.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.96 -44.78 96.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.58 HD21 HD11 ' A' ' 66' ' ' ILE . 10.4 tt -67.11 -40.5 86.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.553 HD13 HD21 ' A' ' 52' ' ' LEU . 64.8 mt -75.46 -45.11 40.57 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.9 pp -60.49 -23.74 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.562 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 81' ' ' LEU . 31.5 m -58.47 -16.69 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -104.72 -50.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.937 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 17' ' ' ILE . 3.7 mm? -57.58 -43.47 84.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.888 0.375 . . . . 0.0 111.07 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.82 9.87 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -134.14 22.97 3.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.352 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.45 HD11 HD13 ' A' ' 14' ' ' LEU . 34.0 pt -137.66 158.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.261 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -75.47 172.11 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.5 -42.87 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 10.4 pt-20 -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.105 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 42.5 mt-10 -77.56 -28.49 51.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 40' ' ' LEU . 6.8 tt -54.86 -49.75 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.301 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 55.4 pttt -71.97 -29.3 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.176 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -58.87 -41.19 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.25 -55.85 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HE3' HD22 ' A' ' 40' ' ' LEU . 16.1 mtmm -63.79 -24.21 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.653 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.7 -46.05 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.296 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.99 -47.14 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.425 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 15.3 mt -98.53 90.87 4.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.6 p -92.12 -50.55 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.847 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -96.51 -7.4 34.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.885 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 73.5 m-85 -79.32 -23.68 43.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 42.95 68.3 0.52 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.364 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.4 tt -65.74 154.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.21 127.63 32.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 0.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -67.26 -20.21 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.8 p -72.99 -33.85 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.285 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.553 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 70.9 p -69.91 -18.32 63.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.716 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.621 HD22 HD21 ' A' ' 22' ' ' LEU . 85.6 mt -50.15 -19.2 0.71 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.104 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.26 -63.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.46 14.05 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.692 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -50.1 -37.43 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.393 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.54 -53.77 53.64 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.874 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 46' ' ' THR . 10.5 ptp180 -80.66 -62.81 1.56 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.415 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 58.4 p -85.21 -59.68 2.26 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.692 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 6.3 mm-40 -71.79 -60.85 2.02 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -58.1 -51.23 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -177.58 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 10' ' ' LEU . . . -53.9 -54.44 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.91 -34.05 75.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -71.51 -57.81 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 10' ' ' LEU . 3.4 pp -55.2 -39.89 70.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 58' ' ' ALA . 2.7 pp -70.28 -26.99 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 0.0 111.725 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' N ' HD12 ' A' ' 53' ' ' ILE . 28.1 tt0 -58.79 -27.16 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.745 0.307 . . . . 0.0 111.27 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -56.39 -57.96 10.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.94 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.41 -35.51 2.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.788 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.74 170.51 23.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.401 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . . . -70.53 -68.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.468 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.02 -32.37 46.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.111 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.0 m -74.98 -55.9 5.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -69.58 -43.81 72.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.405 HG13 HD22 ' A' ' 9' ' ' LEU . 96.8 t -58.05 -30.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.7 p -81.18 -50.08 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.7 pttp -64.33 -28.98 70.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.182 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.88 -30.6 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.58 HD11 HD21 ' A' ' 9' ' ' LEU . 32.8 mm -61.1 -43.18 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.436 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -61.58 -42.29 98.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.772 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -71.92 -51.54 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.25 -46.12 89.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.669 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.5 pt20 -57.99 -53.22 60.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 0.0 111.736 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.557 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 11.8 mmmm -68.73 -7.43 33.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.58 -41.37 5.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -124.98 -51.25 1.68 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -137.6 64.33 1.52 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.669 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 56.8 ttp -50.52 -20.62 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 0.0 111.11 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -80.66 -50.48 9.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.417 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.25 -44.22 97.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.89 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.99 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -52.86 -32.46 44.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.234 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.18 69.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 12' ' ' THR . 96.0 mt -72.37 -47.17 51.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.895 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.56 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -54.84 -30.33 57.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 111.37 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.74 -38.07 85.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -61.38 -29.97 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -53.68 -35.57 61.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -56.96 -38.59 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.56 -29.09 56.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.81 -28.62 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -57.0 -54.62 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.33 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.72 -21.89 64.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.093 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -70.26 -47.68 60.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -82.12 5.89 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 53.1 ttm -76.23 -35.71 58.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.654 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.4 p -68.46 159.97 30.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.169 -0.919 . . . . 0.0 111.04 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.6 mtp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.18 -33.37 75.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.438 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 85.4 p -60.09 -25.41 65.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.348 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.97 -45.73 40.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.202 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.56 -29.75 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HG2' HG21 ' A' ' 62' ' ' VAL . 51.1 mtm180 -82.6 -56.84 3.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 0.0 111.912 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' HG2' HD23 ' A' ' 11' ' ' LEU . 43.4 tt0 -57.26 -53.2 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.13 -50.48 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 66' ' ' ILE . 10.0 tt -57.5 -32.64 67.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.086 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HG ' HD21 ' A' ' 52' ' ' LEU . 3.9 mm? -80.79 -55.66 4.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -55.32 -23.76 25.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.43 ' HB ' HD21 ' A' ' 81' ' ' LEU . 89.5 m -58.23 -22.63 52.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 -39.12 2.08 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.978 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.05 -48.51 79.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.212 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.15 4.02 21.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.528 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -118.45 24.09 11.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.685 0.279 . . . . 0.0 111.433 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.1 pt -136.96 148.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.235 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -63.95 -179.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -45.43 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.394 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.346 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.18 -28.02 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.696 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.597 HD21 HD12 ' A' ' 40' ' ' LEU . 45.6 tp -65.15 -37.33 87.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.03 -30.46 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.76 -52.22 52.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.377 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -54.87 -37.55 66.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -66.79 -31.28 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.374 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -73.02 -50.87 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.63 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -69.26 -54.68 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -52.98 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.715 0.293 . . . . 0.0 111.538 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.602 HD13 ' HB ' ' A' ' 35' ' ' ILE . 12.7 mt -98.49 90.54 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -91.94 -50.54 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.488 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -96.81 -8.92 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.871 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 91.7 m-85 -79.2 -24.42 43.16 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.372 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 42.13 37.92 0.98 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.072 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.602 ' HB ' HD13 ' A' ' 30' ' ' LEU . 16.1 mt -56.46 137.29 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.007 0.432 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.49 145.69 51.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.762 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' O ' HD23 ' A' ' 40' ' ' LEU . 19.8 tpp180 -66.68 -31.01 71.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.081 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -62.52 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 19.6 m -56.54 -20.7 21.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.719 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.597 HD12 HD21 ' A' ' 22' ' ' LEU . 4.3 mm? -57.4 -8.78 0.85 Allowed 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.58 -58.09 7.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.31 14.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.23 -40.81 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.442 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.63 -52.83 63.36 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -79.73 -64.13 1.26 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.5 p -84.46 -58.33 2.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -70.4 -60.67 2.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -173.774 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.12 -52.51 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -177.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.72 -54.74 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.98 -40.16 83.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.55 -56.23 15.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.525 HD12 HD13 ' A' ' 53' ' ' ILE . 4.4 pp -50.71 -31.87 17.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.7 mm -56.2 -40.25 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.771 0.32 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -58.51 -26.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.698 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -56.53 -59.08 5.5 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.72 -35.67 2.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 53' ' ' ILE . . . 157.22 -173.4 34.75 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.113 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.05 -69.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 63' ' ' THR . . . -67.98 -44.05 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -55.62 -53.05 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.42 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.592 HG13 HD22 ' A' ' 9' ' ' LEU . 80.3 t -69.11 -32.87 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 59' ' ' ALA . 36.6 p -74.04 -52.85 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -33.65 70.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.156 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.85 62.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.256 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 9' ' ' LEU . 39.5 mm -66.23 -44.61 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.378 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.56 -36.48 83.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.808 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 76.9 mt -73.47 -52.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.704 0.287 . . . . 0.0 111.61 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.21 -36.88 81.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.161 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.5 pt20 -69.62 -55.15 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.393 . . . . 0.0 111.646 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 58.4 mtpt -66.86 -7.41 21.59 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.1 mm? -109.01 -40.55 4.96 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -124.16 -51.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 74.5 m-85 -138.0 63.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.4 ptt? -51.05 -21.29 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -80.91 -51.24 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.8 mt -62.45 -46.21 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.725 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -54.09 -30.32 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.955 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -52.25 -32.69 38.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.67 68.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.148 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.56 -45.75 57.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.065 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.481 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -55.41 -32.32 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.619 0.247 . . . . 0.0 111.349 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.97 -33.04 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 4.7 ttmp? -59.55 -30.02 68.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.41 -35.34 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -54.48 -41.43 69.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 42.7 tt0 -74.68 -29.99 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.24 -28.6 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.269 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.06 -54.52 34.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.22 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.49 -17.22 61.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -74.61 -24.94 58.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.67 5.3 49.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 52.1 ttp -82.36 -19.54 39.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.719 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.2 t -144.53 149.92 36.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.071 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.916 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.83 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -59.08 -35.89 74.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.38 -30.13 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -73.95 -39.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.7 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HB3' HG21 ' A' ' 62' ' ' VAL . 33.5 ptt180 -81.63 -34.76 30.67 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.76 -46.2 69.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.556 ' HA ' HD22 ' A' ' 11' ' ' LEU . 16.3 tpt -70.44 -46.53 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.478 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.534 HD22 HG13 ' A' ' 62' ' ' VAL . 7.8 tt -56.31 -32.19 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.718 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -81.39 -58.26 3.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -56.22 -23.95 38.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 11' ' ' LEU . 69.1 m -60.92 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.394 . . . . 0.0 110.755 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -103.8 -42.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.744 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.68 -44.6 77.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.667 0.27 . . . . 0.0 111.446 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.09 -3.21 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.55 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -113.83 19.35 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.375 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 13' ' ' GLY . 31.0 pt -133.25 177.47 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.349 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 21' ' ' GLU . 5.0 t -95.34 172.51 8.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.39 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.42 -47.46 67.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.751 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.21 -31.78 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.463 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' H ' HG23 ' A' ' 18' ' ' THR . 0.4 OUTLIER -74.48 -28.48 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.262 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.73 -49.14 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.419 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 57.7 mtmt -67.96 -29.46 68.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.845 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.63 -51.92 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -54.32 48.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.433 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HD3' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.11 -24.36 67.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.752 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 51.7 t80 -63.7 -43.52 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.686 0.279 . . . . 0.0 111.221 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -75.97 -55.51 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.813 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 30' ' ' LEU . . . -64.2 -53.36 50.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.669 0.271 . . . . 0.0 111.368 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.642 HD22 ' HB ' ' A' ' 35' ' ' ILE . 5.4 mp -98.5 90.72 4.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.235 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.1 p -91.49 -50.63 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 111.327 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.61 -8.37 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.5 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 97.4 m-85 -78.84 -23.42 45.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.509 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 44.3 68.53 0.53 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.669 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.642 ' HB ' HD22 ' A' ' 30' ' ' LEU . 8.8 tp -55.51 158.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 35' ' ' ILE . . . -85.78 119.55 26.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -67.01 -34.4 77.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.981 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.3 m -69.1 -34.38 75.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.298 . . . . 0.0 111.533 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 80.4 p -73.2 -17.72 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.853 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.5 mt -41.76 -27.81 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.26 -64.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.21 8.32 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.662 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -55.77 -29.09 59.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.31 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.529 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.8 p-10 -57.5 -54.11 50.5 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.308 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -81.06 -61.79 1.85 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.8 t -83.11 -56.6 3.69 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.64 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -68.32 -60.77 2.2 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -173.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 57.6 mt -56.33 -44.11 79.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.469 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -55.15 -56.34 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.73 -33.78 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.54 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 11.1 t-80 -71.66 -57.44 4.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.68 -32.73 71.52 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.5 mm -64.41 -48.4 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 27.1 pt20 -52.91 -26.79 16.01 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -56.27 -57.15 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -122.78 -35.21 3.08 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.28 173.96 22.39 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.647 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -66.84 -69.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.94 -34.26 77.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.4 p -63.35 -50.0 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -72.04 -45.41 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 9' ' ' LEU . 96.5 t -58.07 -30.72 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.584 HG22 ' HE3' ' A' ' 85' ' ' LYS . 40.5 p -77.23 -51.53 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.8 pttp -66.63 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.71 -30.89 45.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 111.016 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 82' ' ' GLU . 46.3 mm -64.26 -46.94 91.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.652 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.11 -38.56 79.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.109 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 68.8 mt -75.53 -52.12 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.48 -34.2 72.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.664 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.8 pt20 -72.4 -56.42 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.535 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 28.9 mtpp -65.85 -7.76 18.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.5 mm? -103.8 -41.27 5.96 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -124.71 -50.88 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -137.39 62.66 1.58 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.664 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 21.0 ptp -51.87 -19.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.685 0.279 . . . . 0.0 111.324 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -81.08 -51.27 8.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.228 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.2 -49.85 79.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.803 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -30.94 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.639 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.5 t30 -53.08 -36.43 60.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.397 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -32.29 65.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.418 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.9 mt -71.24 -46.77 60.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.125 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.6 pt-20 -55.18 -25.8 34.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.602 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.68 -33.78 70.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -65.13 -28.5 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.584 ' HE3' HG22 ' A' ' 63' ' ' THR . 5.1 ttmp? -51.26 -37.97 50.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.536 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.58 -36.36 69.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.32 -29.01 53.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.706 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.22 -28.49 69.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.23 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.53 -52.36 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.431 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -71.06 -23.39 62.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.388 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -66.54 -28.69 68.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -104.79 -7.24 19.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.098 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 51.8 ttm -109.64 7.03 24.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.774 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.1 t -64.13 143.23 58.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.922 179.854 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.1 -34.46 73.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -58.35 -42.33 86.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.48 -31.28 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.49 -43.23 93.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.662 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -81.29 -34.63 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 111.514 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.42 -47.0 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.043 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.457 ' HA ' HD22 ' A' ' 11' ' ' LEU . 26.9 ptm -73.14 -42.63 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.481 HD11 HD11 ' A' ' 66' ' ' ILE . 6.3 tt -56.1 -32.03 63.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.643 0.258 . . . . 0.0 111.513 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.493 HD11 HD21 ' A' ' 52' ' ' LEU . 84.7 mt -82.13 -55.02 4.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -58.4 -25.31 61.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.963 -179.085 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.463 ' N ' HD23 ' A' ' 11' ' ' LEU . 10.8 p -68.29 -6.41 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.0 -41.98 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.581 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.3 mm? -58.36 -47.92 82.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.89 10.78 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.583 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -121.02 -11.58 8.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.605 HD11 HD23 ' A' ' 22' ' ' LEU . 29.0 pt -100.16 175.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 111.452 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 m -84.13 155.93 22.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.13 -41.77 75.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.287 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.18 -31.23 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.89 -28.01 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 17' ' ' ILE . 90.1 mt -53.74 -49.32 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.46 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -65.19 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.61 -35.08 78.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.28 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -72.33 -54.84 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.681 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 48' ' ' LEU . 1.3 mptm? -62.32 -35.45 79.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.836 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.27 -30.51 69.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.498 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -79.39 -55.62 4.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.536 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -71.71 -52.15 19.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.194 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.76 91.53 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.2 p -90.42 -45.94 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.949 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -94.73 -15.38 23.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.594 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 58.5 m-85 -79.92 -24.7 40.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.295 -179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 41.48 68.03 0.49 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.042 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 mt -60.9 137.16 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.044 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -61.53 134.72 57.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.475 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HA ' HD13 ' A' ' 40' ' ' LEU . 15.2 ptm180 -67.01 -29.76 69.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.386 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.3 t -67.44 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.791 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.608 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 67.3 p -59.4 -18.27 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.449 HD23 HD13 ' A' ' 22' ' ' LEU . 10.1 mp -55.31 -13.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.603 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.28 -43.52 83.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.81 13.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.662 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -50.44 -29.7 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.078 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.6 p-10 -57.93 -52.74 64.26 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.868 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -79.78 -64.17 1.25 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.9 m -83.72 -57.61 3.15 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.21 -59.9 3.85 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -173.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 80.7 mt -58.93 -46.21 88.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.39 -55.79 19.33 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -68.71 -33.56 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -70.3 -58.72 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD12 HD13 ' A' ' 53' ' ' ILE . 3.6 pp -64.76 -32.82 74.68 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 58' ' ' ALA . 5.4 mm -60.15 -33.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.864 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -71.34 -27.1 63.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.6 t -58.23 -57.45 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.068 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.61 172.85 22.16 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.501 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.85 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -61.2 -69.83 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.487 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.02 73.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.146 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -47.25 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.499 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.35 -37.0 71.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 58' ' ' ALA . 94.1 t -68.34 -33.26 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 t -80.29 -40.18 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -32.2 67.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 0.0 111.042 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.29 -31.67 54.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.381 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 82' ' ' GLU . 43.8 mm -66.39 -43.24 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.519 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 6.1 t30 -59.31 -40.46 86.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.671 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.0 mt -75.84 -51.92 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.93 0.395 . . . . 0.0 111.718 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.29 -28.21 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.47 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.617 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.9 pt20 -80.61 -54.21 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 111.62 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 30.8 mtpp -67.83 -7.69 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.7 mm? -103.04 -41.27 6.16 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -124.89 -51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -138.06 63.42 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.617 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.9 ptm -51.31 -17.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.991 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -80.78 -51.15 8.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.84 -49.99 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.929 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.43 -30.86 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.749 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 40.5 t30 -52.8 -35.89 57.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.05 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.636 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -71.93 -46.81 56.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.106 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -54.48 -26.23 30.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.675 0.274 . . . . 0.0 111.737 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.2 mm-40 -62.06 -35.66 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 5.0 ttmp? -56.89 -27.89 61.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.734 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -50.82 -34.79 29.13 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.52 -29.17 52.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -60.77 -28.63 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.422 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.64 -53.03 43.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.441 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.63 -16.96 62.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.8 mtpp -82.31 -25.33 34.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.6 mt -94.96 1.98 55.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 45.8 ttp -81.08 -21.93 39.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.0 t -142.55 160.97 39.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.315 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.886 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.05 -29.63 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.457 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 78.6 p -60.51 -39.48 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.0 -31.04 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.026 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -70.46 -37.74 74.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 16.0 ptt180 -82.39 -29.14 31.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.644 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.46 -53.27 17.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.0 -44.72 68.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.614 HD22 HG13 ' A' ' 62' ' ' VAL . 10.0 tt -56.6 -33.4 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 52' ' ' LEU . 98.0 mt -83.51 -58.48 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.8 pp -51.72 -25.1 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.5 m -54.59 -34.25 61.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.74 -44.02 2.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.938 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -55.37 -54.77 39.53 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 111.441 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.7 10.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.829 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -122.12 -24.64 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.59 0.233 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.9 pt -90.92 165.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.304 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -84.26 157.4 21.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.89 -31.98 72.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.18 -27.66 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.76 -31.07 69.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG2' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mtmt -70.4 -48.15 57.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.892 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -65.41 -34.96 79.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.58 0.229 . . . . 0.0 111.448 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -62.42 -55.63 25.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.74 0.305 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 31.1 mmtp -58.2 -24.76 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -70.94 -36.46 72.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.46 -51.73 8.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.582 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -64.42 -53.0 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.4 mm? -98.25 90.72 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -91.35 -50.85 5.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 111.346 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.46 -12.72 23.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -82.73 -23.8 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 45.48 68.64 0.55 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.558 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.404 HD13 ' HG ' ' A' ' 30' ' ' LEU . 2.1 tp -49.37 153.81 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -81.41 139.38 35.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 111.546 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' NH1' ' HG2' ' A' ' 23' ' ' LYS . 22.3 tpp180 -66.99 -49.92 63.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.403 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -61.22 -28.9 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 47' ' ' GLU . 11.6 m -59.63 -27.44 66.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.521 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.2 -7.48 0.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 111.205 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG11 HH21 ' A' ' 45' ' ' ARG . 3.5 m -115.38 14.34 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.11 -37.24 4.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.491 HH21 HG11 ' A' ' 42' ' ' VAL . 34.5 ptt180 -80.28 -63.13 1.48 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.402 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 35.3 m -84.95 -58.31 2.75 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 4.4 mm-40 -70.22 -59.65 2.76 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -173.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -52.94 -38.0 61.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -64.7 -55.18 21.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.2 m-20 -68.29 -34.42 76.12 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -62.95 -58.31 7.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 10' ' ' LEU . 3.8 pp -54.45 -31.95 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.1 mt -53.85 -34.88 26.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.438 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -69.97 -27.26 64.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.444 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -70.58 -58.45 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.8 -35.3 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.13 -175.6 23.13 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.132 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.48 -70.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.72 0.295 . . . . 0.0 111.555 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.1 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.1 m -66.79 -50.51 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.615 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -71.09 -42.79 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG13 HD22 ' A' ' 9' ' ' LEU . 68.7 t -59.55 -30.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.606 0.241 . . . . 0.0 111.603 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.5 p -79.99 -46.87 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.615 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 18.3 pttp -67.0 -33.92 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 0.0 111.204 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.02 -30.73 48.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.611 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 82' ' ' GLU . 23.6 mm -65.43 -40.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.431 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 17.6 m120 -67.25 -39.08 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.839 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.0 mt -75.41 -51.55 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.475 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -59.06 -36.31 74.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.396 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.686 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.8 pt20 -68.64 -56.31 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 111.793 -178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 4.6 tppp? -66.24 -8.08 22.45 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -103.04 -40.9 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -124.39 -50.91 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.47 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 53.2 m-85 -137.36 63.09 1.57 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.686 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 55.9 ttp -51.54 -19.92 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.719 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -81.19 -49.9 10.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.47 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.1 mt -66.99 -50.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.615 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -56.12 -30.96 62.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.561 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.4 t-20 -52.98 -32.59 47.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.957 0.408 . . . . 0.0 110.833 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.28 67.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.51 -45.24 60.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.031 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -54.69 -27.05 37.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.28 -37.07 80.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.724 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -56.94 -28.83 62.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.65 -34.56 38.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.808 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -54.09 -39.51 66.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.8 tp10 -77.56 -29.23 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.613 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.63 63.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 93' ' ' MET . 46.5 mt-10 -50.73 -50.04 56.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.703 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.63 -18.09 61.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.619 0.247 . . . . 0.0 111.444 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -76.89 -17.13 59.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.277 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.04 9.41 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 89' ' ' GLU . 96.9 mmm -96.15 -12.12 25.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 t -149.65 151.14 33.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.861 179.797 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.79 -29.55 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.081 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.435 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 47.7 t -60.87 -34.46 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.11 -29.93 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -72.7 -35.37 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.476 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 19.0 ptt180 -82.07 -45.12 15.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.57 -52.53 63.04 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.68 -49.47 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 HG13 ' A' ' 62' ' ' VAL . 9.8 tt -56.15 -33.54 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.689 HD11 HD21 ' A' ' 52' ' ' LEU . 87.0 mt -77.68 -58.44 3.26 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 4.0 pp -54.23 -24.43 18.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.836 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.433 HG21 HD11 ' A' ' 81' ' ' LEU . 83.5 m -60.1 -32.51 71.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -41.47 4.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.776 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD13 HD11 ' A' ' 17' ' ' ILE . 4.1 mm? -59.1 -35.99 74.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 111.196 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.34 -4.39 55.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.691 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -115.16 -6.38 12.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.581 HD11 HD13 ' A' ' 14' ' ' LEU . 48.8 pt -106.15 159.74 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -88.49 169.87 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.4 -35.47 77.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.76 -45.8 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.075 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.72 -28.58 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 26' ' ' LYS . 9.7 tt -56.23 -40.75 74.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.12 -29.74 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.386 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -72.44 -42.54 64.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.431 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.86 -51.58 69.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.332 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HZ3' HD21 ' A' ' 48' ' ' LEU . 4.1 mptp? -60.56 -41.69 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.456 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.53 -27.16 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.744 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.74 -56.84 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -72.54 -52.65 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 0.0 111.606 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.641 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -98.35 92.28 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -90.41 -49.87 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.715 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.07 -1.11 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.767 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 70.6 m-85 -92.63 -24.85 18.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.244 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 41.88 68.27 0.48 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.833 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.1 mt -57.07 137.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.929 0.395 . . . . 0.0 111.036 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 129.33 41.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.125 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -67.67 -29.64 68.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.475 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -70.48 -39.45 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.559 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -67.56 -17.5 64.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.996 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD22 ' HE3' ' A' ' 26' ' ' LYS . 97.6 mt -47.06 -24.23 0.61 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.84 -56.38 21.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.41 14.16 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -59.37 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -58.15 -53.93 52.65 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.262 -178.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.7 ptm180 -81.58 -61.4 1.94 Allowed 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.401 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 79.1 p -82.85 -57.14 3.43 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -66.0 -60.18 3.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -174.064 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.6 HD21 ' HZ3' ' A' ' 26' ' ' LYS . 19.8 mt -58.78 -39.98 82.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.85 -56.31 22.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.0 m-20 -69.44 -34.64 74.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.27 -58.56 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.689 HD21 HD11 ' A' ' 10' ' ' LEU . 3.1 pp -55.75 -32.55 63.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.5 mt -56.25 -36.39 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 111.448 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -73.13 -27.52 61.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.626 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -72.68 -58.9 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.34 -35.47 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.03 -178.36 25.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.15 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.33 -69.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 111.524 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.84 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.086 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -55.19 -45.64 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.634 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -69.71 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.568 HG13 HD22 ' A' ' 9' ' ' LEU . 65.7 t -58.13 -30.95 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 111.229 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.9 m -64.09 -55.02 25.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -71.32 -25.23 62.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.69 -30.59 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 82' ' ' GLU . 42.8 mm -68.25 -48.28 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.475 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -58.64 -38.11 77.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.761 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.82 -51.78 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.895 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.32 -42.73 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.167 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.7 pt20 -63.55 -54.03 42.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.927 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.8 mttp -67.54 -7.73 28.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -106.05 -41.39 5.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -125.17 -51.11 1.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -137.85 63.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.0 ptp -51.05 -19.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.767 0.317 . . . . 0.0 111.025 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -80.66 -48.61 12.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.67 -44.41 86.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.972 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.69 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 54.6 t30 -53.0 -32.77 48.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.0 66.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.463 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 12' ' ' THR . 4.1 mm? -72.45 -45.97 57.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.938 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -55.54 -26.12 41.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.485 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.21 -33.22 72.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -63.88 -29.79 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -52.19 -34.94 47.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.038 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -54.34 -54.36 41.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -28.9 69.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.467 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -52.57 -53.01 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.411 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -70.97 -19.45 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.344 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 30.3 mtpp -73.33 -15.43 61.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.832 0.348 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.88 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.081 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.634 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.3 m -62.93 -35.93 81.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.58 -30.34 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -73.35 -35.08 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.465 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.634 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 15.9 ptt180 -80.79 -44.22 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.775 0.321 . . . . 0.0 111.441 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 40.4 tt0 -62.88 -51.52 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.69 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.34 -49.68 68.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.613 HD22 HG13 ' A' ' 62' ' ' VAL . 10.1 tt -56.06 -43.56 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 52' ' ' LEU . 85.4 mt -68.81 -61.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.2 pp -51.86 -23.86 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.05 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.6 m -55.13 -32.5 62.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 111.301 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.62 -35.22 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.135 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.24 -52.72 60.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.317 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.38 10.83 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.515 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -128.95 30.57 5.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.698 0.285 . . . . 0.0 111.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -140.08 154.76 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.992 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -64.78 168.6 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.292 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.43 -41.16 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.18 -42.68 99.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -75.32 -28.4 59.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.43 -44.49 80.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.71 -30.05 51.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.48 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -56.38 -54.36 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.554 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' NZ ' ' HG ' ' A' ' 48' ' ' LEU . 60.7 mttm -58.79 -30.34 67.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -72.68 -34.67 67.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.412 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -78.9 -52.22 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.512 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -63.19 -52.6 61.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HG ' ' HB ' ' A' ' 35' ' ' ILE . 1.8 mm? -98.03 91.12 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -90.9 -50.3 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -96.34 -15.95 21.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.414 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.9 m-85 -78.95 -23.82 44.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.368 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 44.77 64.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.546 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 18.3 tt -66.08 135.62 28.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.708 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -61.41 123.09 16.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.698 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.77 -24.35 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.143 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.8 p -64.05 -28.83 70.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 36' ' ' ALA . 67.6 p -59.74 -18.02 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.706 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.83 -18.93 0.32 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.9 -42.29 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 m -142.63 14.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.46 -38.69 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.93 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.07 -55.06 39.63 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.293 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 46' ' ' THR . 12.6 ptm180 -81.46 -62.22 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.414 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 71.1 p -84.16 -58.63 2.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 -175.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.663 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -70.08 -59.98 2.57 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -59.9 -34.76 73.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.59 -54.93 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.53 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.4 t70 -68.85 -34.9 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.52 -56.69 18.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 10' ' ' LEU . 3.3 pp -54.56 -32.23 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 52' ' ' LEU . 86.2 mt -60.17 -31.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.065 0.459 . . . . 0.0 110.923 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -73.17 -27.26 61.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.06 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.4 p -80.76 -57.01 3.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.734 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.73 -35.41 3.22 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.12 -179.07 18.71 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.528 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.62 -70.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.87 73.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -67.34 -51.57 50.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -71.68 -44.02 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.613 HG13 HD22 ' A' ' 9' ' ' LEU . 76.9 t -58.89 -32.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 p -73.57 -50.55 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.292 . . . . 0.0 111.575 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.94 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.211 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.95 69.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 82' ' ' GLU . 35.1 mm -65.02 -44.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.385 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.43 -38.19 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.789 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 50.1 mt -75.7 -52.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 111.7 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.98 -37.35 71.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.221 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.673 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -68.87 -55.31 11.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.973 0.416 . . . . 0.0 111.46 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 96.8 mttt -67.15 -7.61 24.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -108.44 -40.73 5.04 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.33 -50.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.518 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 39.9 m-85 -137.01 63.01 1.58 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.673 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 46.5 ttm -51.82 -21.17 2.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -81.14 -51.48 8.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.674 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.518 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 63.3 mt -65.38 -48.13 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.8 43.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.788 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 t30 -55.72 -39.23 70.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.33 66.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.382 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.485 HD21 ' HG ' ' A' ' 9' ' ' LEU . 59.4 tp -72.13 -43.46 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.982 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.538 ' HB3' HG21 ' A' ' 66' ' ' ILE . 10.4 pt-20 -59.31 -25.83 64.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.384 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.6 ttpm? -59.74 -28.25 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -50.65 -34.57 26.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.788 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -53.06 -38.07 62.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.766 0.317 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.62 -29.49 51.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.44 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.519 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -53.11 -55.1 26.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -69.54 -28.81 66.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -63.05 -23.6 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 179.896 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.81 71.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.786 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.425 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 53.4 m -59.32 -35.41 73.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.5 -30.13 61.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -68.53 -39.01 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.602 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.8 ptt180 -82.13 -33.39 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.52 -48.7 47.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.501 ' HA ' HD22 ' A' ' 11' ' ' LEU . 50.9 tpp -68.92 -49.5 57.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.847 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.45 HD22 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -56.37 -37.19 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 mm? -75.69 -52.72 9.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -61.87 -23.49 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.767 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.449 ' N ' HD23 ' A' ' 11' ' ' LEU . 54.9 m -54.98 -35.91 64.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.83 -37.77 4.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.199 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 10' ' ' LEU . 4.5 mm? -57.58 -45.17 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.81 0.305 . . . . 0.0 111.366 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.04 10.39 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.49 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -123.56 -18.98 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 22' ' ' LEU . 41.1 pt -93.97 159.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.317 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 p -78.15 169.36 18.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.293 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.51 -40.13 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.46 -44.66 93.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.777 0.323 . . . . 0.0 111.056 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.4 -28.3 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.636 HD21 HD22 ' A' ' 40' ' ' LEU . 9.5 tt -55.56 -48.27 75.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.13 -32.72 73.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.143 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.64 -55.85 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.622 ' HD2' HD21 ' A' ' 48' ' ' LEU . 1.3 mppt? -60.7 -31.55 70.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -68.61 -33.75 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.9 -55.53 4.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.705 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -70.84 -51.81 24.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.789 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 29' ' ' ALA . 1.7 mm? -96.94 90.78 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.7 p -91.48 -49.58 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.8 -10.25 29.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.604 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 77.4 m-85 -84.02 -25.49 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.101 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 41.09 68.41 0.43 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.104 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 20.8 mt -65.68 136.46 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 132.5 53.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.92 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -67.18 -20.32 65.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.443 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -73.16 -33.15 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.482 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.502 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 72.5 p -71.02 -17.85 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.748 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.636 HD22 HD21 ' A' ' 22' ' ' LEU . 85.9 mt -50.74 -17.64 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.017 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.26 -47.94 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -122.96 13.98 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.85 -30.32 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.426 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.5 p-10 -58.42 -54.61 45.09 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.519 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' H ' ' HG2' ' A' ' 45' ' ' ARG . 25.5 ptt180 -81.0 -61.31 2.0 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.6 t -82.29 -56.4 3.93 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -69.69 -60.47 2.29 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -174.266 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 26' ' ' LYS . 42.4 mt -60.48 -51.32 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -52.36 -54.29 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.026 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.552 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.7 t70 -68.2 -34.94 77.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 33' ' ' PHE . 36.1 t60 -66.1 -56.91 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.6 pp -50.46 -32.41 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.602 HD11 ' HD2' ' A' ' 6' ' ' ARG . 81.2 mt -55.99 -39.22 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.77 -27.28 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.576 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -68.25 -58.33 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.19 2.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.775 0.321 . . . . 0.0 111.687 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.79 -176.91 24.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.031 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -68.19 -69.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.14 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.858 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -66.21 -47.43 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.87 -46.25 58.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.45 HG13 HD22 ' A' ' 9' ' ' LEU . 94.1 t -57.99 -32.55 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 p -72.16 -55.17 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -23.17 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.397 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.84 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG22 ' OE1' ' A' ' 70' ' ' GLN . 28.7 mm -63.49 -43.76 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.93 -36.72 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.985 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 66.1 mt -73.63 -51.21 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.682 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.81 -40.77 96.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -66.21 -58.82 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 40.0 ttmt -64.52 -7.68 11.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.3 mm? -99.15 -41.18 7.63 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -124.68 -51.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.66 ' HB3' HG22 ' A' ' 77' ' ' ILE . 90.8 m-85 -138.7 62.91 1.54 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.661 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.8 ptp -52.15 -12.07 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -80.91 -51.99 7.96 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.66 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.2 tt -71.89 -47.17 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.486 ' N ' HG23 ' A' ' 77' ' ' ILE . . . -59.18 -30.93 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.507 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 50.0 t30 -52.98 -45.87 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -32.33 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.607 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.418 HD13 HG21 ' A' ' 12' ' ' THR . 57.7 tp -60.33 -34.93 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 8.1 pt-20 -58.02 -26.11 62.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -32.78 68.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.679 0.275 . . . . 0.0 111.227 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -53.08 -30.18 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.436 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.94 -34.87 66.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.111 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -54.87 -44.96 74.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.9 tp10 -76.72 -28.67 55.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.85 68.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.938 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.66 -46.34 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.8 ptt180 -73.2 -21.17 60.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.63 -13.15 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.94 -34.12 76.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.578 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 47.8 t -61.55 -40.56 95.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.37 -29.81 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.11 -35.79 71.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.323 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.578 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 30.5 ptt85 -82.1 -47.04 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 111.558 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 44.4 tt0 -61.9 -50.03 73.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.897 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.26 -49.48 69.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.81 -32.24 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 6' ' ' ARG . 3.9 mm? -80.73 -54.39 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -58.94 -27.36 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 p -63.65 -8.85 11.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.34 -37.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.573 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.78 -44.97 69.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.19 10.4 5.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.753 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -115.81 -26.5 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.621 0.248 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.602 HD11 HD23 ' A' ' 22' ' ' LEU . 38.6 pt -92.15 165.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 77.6 p -75.62 165.32 25.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.588 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' ' 22' ' ' LEU . 13.0 mm-40 -59.7 -44.18 93.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.65 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -35.64 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.439 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 50.1 mt-10 -76.56 -27.93 56.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.237 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 17' ' ' ILE . 76.6 mt -53.36 -49.1 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.554 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -69.38 -31.06 69.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 50.9 mtp180 -60.14 -47.03 87.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -71.77 -42.93 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.39 -38.25 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -71.96 -29.14 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.328 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.07 -54.74 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.3 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -66.63 -51.28 57.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.227 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.1 mm? -96.9 91.42 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -90.68 -46.07 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.233 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -94.84 -16.99 22.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.296 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.3 m-85 -83.07 -25.18 32.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.581 0.229 . . . . 0.0 111.03 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 41.36 67.99 0.49 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.048 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 25.6 mt -67.67 131.91 32.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 110.574 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.0 139.77 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.722 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -61.85 -28.68 69.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.486 HG23 ' HG3' ' A' ' 47' ' ' GLU . 29.1 m -57.92 -20.65 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.36 -10.83 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.802 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.73 -39.05 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 m -143.71 13.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.687 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -51.43 -37.68 49.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.366 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.4 p-10 -57.38 -54.1 50.61 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 46' ' ' THR . 28.9 ptt180 -81.07 -62.89 1.53 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.9 t -84.09 -58.05 2.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 117.639 2.459 . . . . 0.0 117.639 -175.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.687 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 7.3 mm-40 -70.51 -60.18 2.42 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 -173.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -58.4 -41.57 85.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.976 0.353 . . . . 0.0 111.72 -178.298 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.04 -54.72 42.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.563 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.2 t70 -68.16 -36.35 79.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.29 -57.62 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.7 pp -52.6 -32.06 39.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 50' ' ' ASP . 82.4 mt -56.12 -37.8 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.758 0.313 . . . . 0.0 111.411 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -74.64 -27.23 60.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.418 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -65.63 -57.45 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.723 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.63 2.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 53' ' ' ILE . . . 150.89 -179.69 27.38 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.121 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 -70.21 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 111.307 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.75 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.988 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -63.51 -55.7 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -65.37 -47.32 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.35 -32.46 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 p -77.98 -51.73 9.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 15.1 pttp -61.47 -25.5 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.05 49.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 82' ' ' GLU . 41.7 mm -70.06 -40.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.184 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 63.1 m-20 -59.32 -40.45 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.521 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 62.5 mt -76.34 -51.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.741 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.79 -31.84 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.678 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -70.28 -58.03 4.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 27.1 ttpp -67.44 -7.81 28.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.1 mm? -104.16 -40.94 5.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -177.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 41.6 t-20 -124.73 -51.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 25.9 m-85 -138.04 63.15 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.678 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.0 ptm -51.22 -19.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.63 0.253 . . . . 0.0 111.109 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -81.3 -51.47 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.516 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.462 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 72.5 mt -64.36 -46.03 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.855 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.69 44.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.81 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.8 m120 -56.41 -43.09 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.875 0.369 . . . . 0.0 111.227 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.18 65.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.46 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.46 -43.98 65.63 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.4 pt-20 -56.07 -25.38 44.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.65 0.262 . . . . 0.0 111.28 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -56.81 -33.2 66.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.17 -30.03 61.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -53.49 -36.7 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -59.56 -37.23 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.7 tt0 -76.4 -28.94 56.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.39 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.75 -54.96 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.671 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 15.1 ptm180 -69.07 -23.08 63.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.496 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -74.43 -42.81 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.692 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -30.01 71.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.565 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.1 m -61.25 -33.93 74.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.18 -30.32 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -73.12 -35.13 66.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.038 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 16.2 ptt180 -82.13 -38.86 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.14 -52.18 30.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.742 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 13.5 tpt -63.01 -48.85 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.6 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 66' ' ' ILE . 3.3 tm? -56.0 -46.26 78.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.273 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 14' ' ' LEU . 2.9 mm? -62.33 -57.45 11.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.548 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.5 pp -60.31 -23.43 64.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.529 HG21 HD11 ' A' ' 81' ' ' LEU . 90.7 m -52.91 -26.14 13.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.75 0.31 . . . . 0.0 111.395 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -107.83 -42.49 1.43 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.973 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 HD11 ' A' ' 17' ' ' ILE . 4.1 mm? -57.2 -45.56 83.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.8 10.62 4.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.526 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -130.79 16.17 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.048 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.546 HD11 ' HG ' ' A' ' 22' ' ' LEU . 44.6 pt -131.96 163.21 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 77.2 p -83.81 165.25 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.21 -43.52 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.404 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.5 -45.76 92.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.66 -28.56 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.616 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 17' ' ' ILE . 3.6 tt -68.52 -37.86 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.1 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.73 -34.04 77.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -73.31 -48.94 30.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -56.36 -54.35 46.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.653 ' HE2' HD21 ' A' ' 48' ' ' LEU . 18.3 ttmt -54.52 -40.27 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -72.87 -24.32 60.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.52 -55.25 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.259 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.96 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.72 90.97 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.0 p -91.48 -48.56 6.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.816 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -93.17 -10.93 34.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.941 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.59 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.4 m-85 -79.43 -24.42 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.09 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 42.03 68.16 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.89 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 mt -76.69 128.28 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.705 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -50.36 132.34 24.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.779 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' A' ' 40' ' ' LEU . 35.8 ptt180 -66.9 -21.72 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.261 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -69.24 -28.91 66.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.342 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.498 HG23 ' HB3' ' A' ' 36' ' ' ALA . 46.9 p -67.19 -17.8 64.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.952 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 37' ' ' ARG . 7.4 mp -46.02 -23.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.21 -54.03 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.652 0.263 . . . . 0.0 111.399 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.2 14.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.641 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.43 -30.91 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 6.2 p-10 -58.98 -54.52 46.19 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.097 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -81.02 -60.76 2.18 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -82.32 -57.41 3.38 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.641 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -69.48 -60.31 2.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -174.107 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.653 HD21 ' HE2' ' A' ' 26' ' ' LYS . 52.6 mt -60.48 -53.02 62.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.91 -54.37 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.71 -34.6 77.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -69.03 -56.76 6.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.0 pp -50.46 -32.42 17.92 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 52' ' ' LEU . 95.3 mt -55.67 -42.89 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 111.737 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.65 -27.42 68.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.543 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 t -69.85 -58.58 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.32 -35.28 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.16 -176.73 24.94 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.106 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -70.58 -69.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.84 74.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.743 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.18 -50.16 72.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.996 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -70.32 -41.81 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 58' ' ' ALA . 71.5 t -59.92 -30.86 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.191 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.9 m -71.4 -56.02 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 16.4 pttp -61.31 -33.52 73.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.88 -30.93 48.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.476 HD11 HD21 ' A' ' 9' ' ' LEU . 48.3 mm -64.91 -45.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.274 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.5 m-20 -66.3 -47.11 74.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.919 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.8 mt -62.44 -47.37 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.805 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -67.67 -46.26 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.4 pt20 -59.36 -55.32 36.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 111.78 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.25 -7.24 12.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.741 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -109.59 -40.46 4.85 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.12 -50.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' HE2' HG22 ' A' ' 17' ' ' ILE . 61.2 m-85 -137.3 63.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.685 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.26 -20.06 1.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.777 0.322 . . . . 0.0 111.038 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -81.06 -51.26 8.68 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 59.0 mt -61.61 -50.0 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.882 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.29 64.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.978 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.8 t-20 -52.36 -36.0 52.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 111.316 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -32.79 65.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.863 0.363 . . . . 0.0 111.21 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 12' ' ' THR . 3.8 mm? -72.67 -42.2 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.9 pt-20 -55.09 -25.91 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.98 -33.06 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.45 -29.34 64.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.307 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -51.64 -34.92 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.031 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.26 -38.69 74.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -77.08 -29.04 54.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.634 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.12 -28.64 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -54.53 -54.07 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.318 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 9.0 mtpm? -79.45 -31.45 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.06 -179.849 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.671 0.272 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.27 -37.15 74.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.028 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.522 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 48.7 m -60.42 -28.03 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.65 -43.81 45.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.58 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.22 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 62' ' ' VAL . 86.5 mtm180 -82.17 -57.88 3.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.503 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.0 tt0 -58.73 -52.88 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.14 -40.25 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.586 HD21 HD11 ' A' ' 66' ' ' ILE . 2.9 tm? -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.575 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.612 ' HG ' HD21 ' A' ' 52' ' ' LEU . 4.4 mm? -83.55 -55.75 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.467 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.52 -23.93 11.89 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.435 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.9 p -67.8 -0.21 3.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 111.467 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.64 -42.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.318 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -61.44 -46.75 88.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -74.69 -5.5 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.41 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -110.47 16.42 21.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.54 HD11 HD23 ' A' ' 22' ' ' LEU . 45.5 pt -135.17 169.49 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.19 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.2 p -89.25 174.8 7.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.6 mp0 -67.21 -39.08 86.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.463 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 11.3 pt-20 -58.43 -34.4 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.95 -28.64 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.611 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 19' ' ' GLU . 98.2 mt -58.23 -49.55 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.616 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 20' ' ' GLU . 22.7 pttp -63.54 -29.37 70.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.704 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -73.13 -37.85 66.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.688 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -71.22 -47.04 59.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -64.66 -32.47 74.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.331 -179.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -71.83 -30.66 65.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.751 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -79.84 -54.66 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.601 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -69.35 -52.65 25.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.8 mm? -97.37 90.44 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -91.72 -50.82 5.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -96.85 -15.06 21.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.449 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -77.81 -23.82 48.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.041 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 45.49 67.7 0.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 14.8 tt -66.19 142.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -68.99 122.44 18.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.564 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.477 ' HA ' HD13 ' A' ' 40' ' ' LEU . 38.5 ptt180 -67.27 -25.25 65.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.403 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -65.73 -28.88 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.498 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.598 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.4 p -66.65 -18.22 65.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 37' ' ' ARG . 9.3 mp -49.74 -17.59 0.36 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -57.33 -40.84 78.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.91 14.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.741 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -55.13 -30.23 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.516 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.6 p-10 -57.98 -54.35 47.91 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.033 -177.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HG3' HG23 ' A' ' 46' ' ' THR . 33.1 ptt180 -81.45 -61.48 1.93 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 45' ' ' ARG . 77.3 p -82.85 -57.35 3.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -69.42 -59.78 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.741 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 77.5 mt -56.94 -48.61 77.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.25 -55.72 19.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.814 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.93 -33.97 74.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -70.69 -58.32 3.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.612 HD21 ' HG ' ' A' ' 10' ' ' LEU . 4.0 pp -57.46 -33.16 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.84 -39.7 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -59.4 -27.11 65.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.467 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.2 m -56.44 -58.36 8.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.03 -35.79 2.79 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.33 -179.04 32.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.01 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.75 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.92 -69.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 111.766 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.13 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -59.28 -44.85 92.44 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -72.22 -37.5 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 ' HG2' ' A' ' 6' ' ' ARG . 93.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.1 t -80.2 -39.13 29.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.5 pttp -71.77 -37.12 70.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 111.282 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.27 -30.99 52.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.586 HD11 HD21 ' A' ' 9' ' ' LEU . 47.0 mm -67.0 -39.49 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.371 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.666 ' HA ' HE21 ' A' ' 70' ' ' GLN . 6.8 t30 -67.25 -41.77 85.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.5 mt -69.9 -51.15 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -61.95 -43.31 99.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 25.9 pt20 -62.59 -56.92 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.565 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 57.4 tttm -66.78 -7.49 21.67 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -105.35 -41.05 5.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.77 -51.23 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.93 63.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.671 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 22.2 ptm -51.66 -18.75 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.652 0.263 . . . . 0.0 111.216 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -80.71 -50.42 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.236 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.09 -48.66 86.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.234 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.61 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.405 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -55.44 -35.13 65.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.349 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.5 68.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.779 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.3 -44.14 65.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.951 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.551 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.5 pt-20 -56.53 -27.81 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.89 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.07 -29.49 70.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' A' ' 82' ' ' GLU . 29.3 mtmm -51.95 -35.17 45.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.569 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -55.7 -37.84 68.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 38.3 tt0 -77.2 -29.43 54.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.653 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.33 67.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.461 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -51.49 -52.61 45.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.616 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.6 ptt180 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.387 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -71.8 -33.11 68.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.175 -179.79 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.52 -38.32 89.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -63.04 -41.16 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.789 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -75.37 -29.86 60.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -71.59 -35.13 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.603 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HD2' HD11 ' A' ' 53' ' ' ILE . 38.8 ptt180 -81.86 -39.39 23.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.443 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.9 tt0 -71.72 -53.0 14.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.5 tpp -61.15 -50.02 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.691 HD22 HG13 ' A' ' 62' ' ' VAL . 10.1 tt -56.37 -32.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 52' ' ' LEU . 81.5 mt -80.57 -61.35 2.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.9 pp -53.18 -26.5 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 p -69.29 0.88 4.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.73 -26.03 1.82 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.428 HD12 HD22 ' A' ' 22' ' ' LEU . 3.5 mm? -82.38 -48.96 10.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.35 -3.64 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -107.15 12.34 28.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.485 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.573 HD11 HD23 ' A' ' 22' ' ' LEU . 35.9 pt -136.21 168.67 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 p -79.0 162.23 26.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.573 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -60.99 -34.37 74.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.312 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 11.7 pt-20 -60.93 -36.76 80.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.776 0.322 . . . . 0.0 110.718 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.97 -29.65 49.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 19' ' ' GLU . 89.7 mt -58.68 -48.8 79.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 60.7 pttt -68.35 -32.29 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.517 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -65.87 -52.0 53.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -54.92 -41.34 70.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.282 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -67.58 -26.69 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.3 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -73.01 -42.73 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.829 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -73.93 -53.85 9.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -62.67 -52.79 61.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 111.084 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -97.85 92.43 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -90.26 -49.15 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.695 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.31 2.97 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.789 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.634 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 56.1 m-85 -100.62 -25.04 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.208 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 41.56 68.55 0.44 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.108 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.3 140.63 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -66.62 142.34 57.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.735 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -67.45 -35.52 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.479 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.8 p -60.08 -28.71 68.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.589 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 36' ' ' ALA . 41.8 p -61.36 -23.01 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -51.31 -19.93 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.22 -38.81 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.435 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -139.66 14.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.03 0.443 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -47.5 -38.63 14.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.817 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.8 p-10 -58.58 -55.33 36.47 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 12.5 ptp180 -81.26 -61.85 1.83 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -83.1 -58.5 2.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.681 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 9.6 mm-40 -70.79 -60.68 2.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -174.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.51 -46.69 81.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 45' ' ' ARG . . . -54.18 -54.55 38.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HA ' HD12 ' A' ' 53' ' ' ILE . 18.3 t70 -67.61 -34.27 76.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -61.09 -57.92 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.2 pp -54.94 -32.55 61.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 52' ' ' LEU . 97.3 mt -61.25 -33.83 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 111.422 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -73.72 -27.3 61.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.237 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -70.38 -58.17 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.893 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.76 -35.44 2.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.92 -178.84 22.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.401 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.32 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.535 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.74 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.676 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 m -62.33 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.799 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . . . -71.92 -43.26 65.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.691 HG13 HD22 ' A' ' 9' ' ' LEU . 75.0 t -58.76 -34.82 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 59' ' ' ALA . 29.4 p -68.28 -53.04 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -70.96 -22.87 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.344 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 82' ' ' GLU . 37.6 mm -72.18 -44.43 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -60.97 -38.94 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.912 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 58.2 mt -76.23 -51.8 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.02 -39.84 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.2 pt20 -63.06 -62.14 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 25.6 ttpp -65.59 -7.71 16.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -100.63 -41.53 6.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -125.47 -52.56 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.507 ' HB3' HG22 ' A' ' 77' ' ' ILE . 87.9 m-85 -139.14 62.57 1.53 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.588 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.96 -13.83 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -80.47 -51.61 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.507 HG22 ' HB3' ' A' ' 74' ' ' TYR . 18.0 tt -70.61 -35.69 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.66 68.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.4 m120 -59.1 -34.88 72.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -40.11 66.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.823 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -41.7 67.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.015 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -56.0 -25.86 46.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.233 . . . . 0.0 111.468 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.25 -34.29 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.99 -29.79 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.74 -35.27 61.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -57.67 -48.05 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.662 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.6 tt0 -72.12 -28.96 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.8 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.68 -55.33 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.384 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptm180 -67.21 -23.05 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.196 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.85 -27.6 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 110.716 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -69.85 -29.81 67.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.71 -38.08 58.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.69 -35.65 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.505 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.9 ptt180 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.737 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.58 -53.32 14.11 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ptm -69.85 -47.3 63.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.658 HD22 HG13 ' A' ' 62' ' ' VAL . 10.2 tt -56.08 -32.65 64.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD11 HD21 ' A' ' 52' ' ' LEU . 88.7 mt -82.77 -54.74 4.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.0 pp -58.27 -24.52 59.69 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 p -72.75 1.03 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.491 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.54 -45.81 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.635 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 HD22 ' A' ' 22' ' ' LEU . 3.6 mm? -64.61 -54.22 35.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.879 0.371 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.85 -14.27 62.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.602 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -86.67 -32.08 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 111.163 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.58 HD11 HD23 ' A' ' 22' ' ' LEU . 46.1 pt -90.74 172.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.408 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 68.7 p -80.16 169.72 17.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.3 mp0 -62.62 -45.44 92.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.47 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.84 -31.4 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.004 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.35 -29.13 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 17' ' ' ILE . 96.5 mt -58.05 -42.55 85.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -67.7 -39.32 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.424 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.77 -44.33 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.415 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -64.81 -56.47 13.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.48 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -56.89 -36.72 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.758 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -72.46 -25.54 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -77.32 -55.16 5.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.512 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 -51.25 26.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.749 0.309 . . . . 0.0 111.347 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 19.1 mt -95.34 91.3 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -91.45 -49.33 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -93.51 -10.8 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.434 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.61 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 75.6 m-85 -81.27 -23.73 37.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.076 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 42.87 66.59 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 tt -62.65 143.63 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -64.18 127.88 33.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.434 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' O ' HD13 ' A' ' 40' ' ' LEU . 35.6 ttp180 -66.71 -34.11 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.301 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.1 p -57.84 -28.58 64.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.891 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.563 HG23 ' HB3' ' A' ' 36' ' ' ALA . 43.1 p -59.84 -18.44 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 37' ' ' ARG . 6.3 mp -50.38 -16.3 0.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.71 -52.23 66.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.2 m -132.42 14.9 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.682 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -42.0 -41.03 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.65 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.8 p-10 -57.21 -53.15 61.35 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -79.88 -64.44 1.19 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -84.53 -57.84 2.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 117.873 2.545 . . . . 0.0 117.873 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.65 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.71 -60.74 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -173.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.33 -44.28 84.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -58.42 -54.86 42.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.5 t70 -67.88 -34.34 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -64.36 -57.63 8.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.9 pp -53.91 -32.97 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.2 mt -56.92 -46.92 83.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -27.25 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.608 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -72.23 -58.94 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.35 -35.58 2.76 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.11 176.95 20.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.405 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.91 -69.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.61 76.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -65.02 -49.81 68.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -71.52 -41.66 68.92 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 9' ' ' LEU . 77.3 t -58.75 -31.31 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.715 0.293 . . . . 0.0 111.45 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.9 m -72.49 -56.51 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.473 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.82 -29.13 70.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.87 50.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.488 HD11 HD21 ' A' ' 9' ' ' LEU . 40.2 mm -67.0 -47.44 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.412 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.556 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -65.54 -34.33 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.511 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 81.4 mt -75.32 -41.85 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.727 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -71.46 -37.81 71.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.3 pt20 -65.0 -58.82 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 23.6 ttmm -66.74 -7.96 24.7 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -100.3 -42.05 6.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -126.06 -52.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.494 ' HB3' HG22 ' A' ' 77' ' ' ILE . 85.8 m-85 -138.83 62.8 1.53 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.621 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.7 ptm -52.21 -9.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.94 -51.55 8.43 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.494 HG22 ' HB3' ' A' ' 74' ' ' TYR . 15.9 tt -69.54 -36.06 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.85 71.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.54 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 49.6 t30 -57.46 -40.69 79.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.96 -32.35 65.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.968 0.413 . . . . 0.0 111.316 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.477 HD21 ' HG ' ' A' ' 9' ' ' LEU . 67.1 tp -71.93 -41.6 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.474 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 pt-20 -57.38 -25.84 60.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.575 0.226 . . . . 0.0 111.356 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.87 -32.94 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.774 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -59.13 -29.69 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.213 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -52.38 -35.44 51.53 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.18 -36.84 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -76.57 -29.11 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.67 -28.58 61.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.56 -53.59 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.491 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.07 -17.96 61.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -83.55 -21.35 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.781 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 m -64.66 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.37 -31.4 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -76.51 -38.85 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.543 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -75.76 -34.94 60.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.491 ' HG2' HD23 ' A' ' 11' ' ' LEU . 40.4 tt0 -71.78 -52.5 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.74 -43.86 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.822 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 66' ' ' ILE . 3.0 tm? -57.95 -31.93 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -83.58 -60.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 7' ' ' GLU . 3.9 pp -56.31 -25.92 50.37 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.462 HG23 HD13 ' A' ' 81' ' ' LEU . 13.1 t -63.2 -5.65 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.78 -41.38 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.423 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.85 -47.51 84.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.34 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.33 9.44 7.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -129.19 23.51 5.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.598 0.237 . . . . 0.0 111.618 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.8 pt -134.81 153.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 0.0 111.332 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -67.58 166.28 15.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.5 -34.79 76.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 11.2 pt-20 -62.7 -46.03 90.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.035 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HG2' ' HG3' ' A' ' 20' ' ' GLU . 11.0 mm-40 -77.19 -28.24 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.708 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 40' ' ' LEU . 43.7 tp -53.18 -46.55 68.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.393 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -73.56 -34.39 65.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.399 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.42 -38.18 79.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.88 -52.24 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.196 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -61.97 -30.87 71.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -66.73 -44.65 81.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.518 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.69 -54.92 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.647 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.95 65.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.768 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.47 HD13 HD13 ' A' ' 35' ' ' ILE . 7.5 mt -97.26 90.45 5.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.3 p -92.14 -49.99 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.533 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.12 -14.07 23.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.752 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.443 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 79.7 m-85 -77.82 -25.39 48.8 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.01 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 40.99 67.67 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.379 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.47 HD13 HD13 ' A' ' 30' ' ' LEU . 1.7 mp -75.08 137.67 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.511 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -66.9 -33.05 74.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -59.45 -28.57 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.715 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.517 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 41.3 p -66.73 -17.59 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 22' ' ' LEU . 68.7 mt -50.7 -16.59 0.41 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.01 -38.97 84.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.703 0.287 . . . . 0.0 111.411 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.5 14.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.685 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -52.86 -30.04 31.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.5 p-10 -58.24 -54.19 49.73 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.734 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -81.25 -60.77 2.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.7 t -82.49 -56.61 3.78 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 117.438 2.384 . . . . 0.0 117.438 -175.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.644 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -67.02 -60.11 2.91 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 17.6 mt -58.48 -50.69 72.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.53 -55.06 24.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.12 -34.72 76.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -74.57 -58.66 3.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.06 -35.55 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.9 mm -60.59 -42.88 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.59 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.01 -26.56 60.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.594 0.235 . . . . 0.0 111.422 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.8 t -56.44 -58.03 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.55 -35.58 2.9 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.61 25.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.437 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.64 -69.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 m -64.46 -50.81 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.24 -39.06 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 58' ' ' ALA . 44.1 t -57.94 -35.2 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 p -71.57 -54.6 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 111.755 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -23.08 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.88 75.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 82' ' ' GLU . 26.6 mm -69.09 -38.42 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -60.86 -42.49 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.518 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.4 mt -75.34 -44.33 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.28 -46.41 89.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.211 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.678 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -62.23 -57.52 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.514 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.9 tttm -65.23 -8.06 15.8 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -99.21 -42.09 7.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.88 -52.03 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.647 ' HB3' HG22 ' A' ' 77' ' ' ILE . 52.7 m-85 -138.55 63.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.678 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 58.2 ttp -52.22 -12.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.619 0.247 . . . . 0.0 111.535 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -80.57 -51.83 8.3 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.647 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.6 tt -71.59 -38.2 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.182 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.456 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 3.4 t-20 -56.38 -40.66 74.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.93 -32.31 65.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.507 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.462 HD13 HG23 ' A' ' 12' ' ' THR . 55.2 mt -70.04 -46.2 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.049 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.0 pt-20 -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.553 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -56.81 -33.17 66.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.392 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.416 ' NZ ' HD23 ' A' ' 9' ' ' LEU . 6.6 ttpm? -56.7 -29.5 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.326 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.91 -35.23 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' NZ ' ' A' ' 86' ' ' LYS . 10.4 mtmp? -55.23 -49.02 73.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 43.0 tt0 -71.54 -29.65 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.768 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.47 68.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.368 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.473 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptp180 -72.21 -21.59 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.332 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 27.6 mtpp -70.61 -34.54 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.751 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.485 ' HB2' HH21 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -62.44 -29.41 70.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.962 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -55.26 -31.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.417 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.88 -31.85 73.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -77.58 -25.43 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.485 HH21 ' HB2' ' A' ' 2' ' ' GLU . 15.9 mmt180 -81.74 -54.43 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.471 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.535 ' HG3' ' HA ' ' A' ' 45' ' ' ARG . 37.9 tt0 -61.63 -53.19 59.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.342 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.19 -49.19 78.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD22 HG13 ' A' ' 62' ' ' VAL . 8.2 tt -55.99 -31.35 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.747 HD11 HD21 ' A' ' 52' ' ' LEU . 76.2 mt -80.99 -60.48 2.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.23 -25.93 16.01 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.419 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.4 p -63.48 -8.34 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.748 0.309 . . . . 0.0 111.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -122.83 -41.28 0.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.184 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.8 mm? -58.01 -43.13 86.52 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.927 0.394 . . . . 0.0 110.731 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.98 10.69 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.333 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.55 19.41 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 13' ' ' GLY . 41.7 pt -130.96 164.23 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.359 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.8 m -92.04 155.34 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.44 -31.84 68.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.483 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 11.9 pt-20 -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mt-10 -77.86 -28.41 50.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -54.27 -43.83 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.2 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -60.83 -31.4 70.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.268 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.56 -43.94 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.507 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.62 -50.35 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.5 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE3' HD22 ' A' ' 40' ' ' LEU . 4.0 mptp? -60.49 -40.74 92.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.733 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -71.84 -38.57 70.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.828 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.93 -56.26 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.07 18.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.392 . . . . 0.0 111.266 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.704 HD13 ' HB ' ' A' ' 35' ' ' ILE . 14.4 mt -97.71 90.86 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -91.65 -50.13 5.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.433 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -95.99 -7.12 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.785 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -84.55 -24.63 29.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.557 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 41.98 68.12 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.704 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.0 tt -60.63 147.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.141 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 123.49 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -67.19 -29.86 69.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.932 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -70.76 -37.16 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.485 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.607 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 75.7 p -66.25 -18.45 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.569 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD22 ' HE3' ' A' ' 26' ' ' LYS . 96.3 mt -52.1 -19.86 2.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.508 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.19 -61.57 2.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.045 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.22 14.14 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.655 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.51 -54.22 48.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.613 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.535 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 27.2 ptt180 -81.54 -62.91 1.51 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.416 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 28.1 m -84.18 -57.44 3.18 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.44 -59.64 2.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -173.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -53.63 -38.46 64.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.262 0.483 . . . . 0.0 112.066 -178.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -63.64 -55.1 26.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.892 0.331 . . . . 0.0 111.892 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.64 -33.83 75.74 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.86 -57.85 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.747 HD21 HD11 ' A' ' 10' ' ' LEU . 4.2 pp -58.12 -32.6 68.29 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 52' ' ' LEU . 93.2 mt -58.23 -34.64 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.381 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -75.17 -27.46 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -69.98 -57.68 4.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.662 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.68 -35.29 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.23 -178.63 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.248 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.96 -69.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . . . -68.11 -37.21 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.801 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.3 m -61.17 -53.79 52.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.44 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -68.36 -47.89 66.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.633 HG13 HD22 ' A' ' 9' ' ' LEU . 85.1 t -58.59 -34.47 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.6 m -66.0 -55.24 17.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.633 0.254 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.96 64.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -36.97 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.571 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 9' ' ' LEU . 40.2 mm -64.83 -41.28 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.255 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -44.03 97.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.83 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -71.39 -51.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.79 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -54.92 -49.61 70.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.676 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.6 pt20 -58.73 -56.39 22.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 111.915 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 98.4 mttt -66.62 -7.63 21.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.9 mm? -105.71 -41.01 5.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -124.54 -51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.433 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 69.9 m-85 -137.69 62.42 1.58 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.676 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.2 ptt? -52.12 -18.67 1.55 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -80.81 -51.28 8.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.057 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.6 mt -65.57 -47.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.468 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.0 -30.93 49.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.516 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.0 t-20 -52.98 -37.15 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 -33.88 66.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.321 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -43.37 65.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.898 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 9.2 pt-20 -57.72 -26.21 61.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.317 . . . . 0.0 110.88 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 mm-40 -65.32 -33.15 75.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 26.0 ttmt -60.29 -28.8 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.41 -34.98 37.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.482 ' NZ ' ' HB2' ' A' ' 86' ' ' LYS . 4.7 ttmp? -50.77 -46.78 59.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 33.0 tt0 -77.67 -31.2 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.98 -28.6 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.498 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.25 -51.64 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.82 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 40.7 ptt180 -72.89 -13.15 61.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.526 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -78.66 -11.74 59.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.722 0.296 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.674 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.51 -29.92 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -62.14 -30.0 70.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.46 -32.89 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -66.89 -38.69 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.497 HH11 HG13 ' A' ' 53' ' ' ILE . 38.4 ptt180 -81.0 -45.54 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -49.07 77.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.594 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.36 -49.43 66.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.884 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 66' ' ' ILE . 22.7 tp -60.1 -31.46 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.691 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.99 -60.3 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.2 pp -54.23 -26.16 27.08 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.14 -3.15 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.236 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.82 -40.77 0.48 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.245 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -59.92 -48.29 82.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 110.703 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.14 9.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.52 17.69 9.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 22' ' ' LEU . 23.1 pt -131.14 151.6 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.373 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.7 p -63.96 172.95 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -68.15 -43.32 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.22 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.01 -46.55 87.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.31 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -70.25 -28.61 65.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 40' ' ' LEU . 62.0 tp -58.58 -37.04 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.021 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.1 -33.56 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.5 -44.75 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.538 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.86 -57.02 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.235 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HB3' HG21 ' A' ' 35' ' ' ILE . 26.9 mtpp -58.8 -37.21 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -70.21 -25.83 63.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -79.3 -54.13 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -64.96 -51.5 61.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.1 mm? -92.99 90.23 6.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.823 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.2 p -91.93 -49.93 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.31 -16.56 21.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.039 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -77.99 -23.11 48.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 47.35 68.08 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' ' 26' ' ' LYS . 4.9 tp -54.99 158.2 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.98 127.83 47.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.96 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 14.2 ptm180 -66.71 -21.56 66.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.331 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.4 t -59.55 -32.3 70.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 111.041 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.545 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.9 p -77.33 -18.31 57.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.821 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 10.6 tp -43.53 -23.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.301 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.55 -54.57 45.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.533 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -125.7 14.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 111.373 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.676 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -51.78 -30.07 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.3 -55.05 39.99 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.452 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' H ' ' A' ' 46' ' ' THR . 11.8 ptp180 -81.28 -61.84 1.83 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.413 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 71.8 p -83.3 -57.15 3.38 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 -175.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.668 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -69.33 -59.75 2.79 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -173.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.676 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 40.8 mt -54.31 -43.77 71.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.32 0.509 . . . . 0.0 111.269 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.569 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.14 -54.89 33.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.97 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.43 -34.1 76.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -72.28 -58.11 3.67 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.17 -33.08 73.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.13 -40.78 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.574 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -57.97 -26.56 62.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.613 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -56.23 -57.7 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.7 -35.68 2.86 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.41 177.48 27.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.193 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.734 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.39 -69.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.34 77.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.7 p -65.01 -56.29 14.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -59.16 -43.5 92.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 58' ' ' ALA . 59.5 t -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -72.73 -48.22 40.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 11.7 pttp -71.17 -25.12 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.34 -31.13 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 9' ' ' LEU . 35.7 mm -67.73 -41.48 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.95 -37.41 75.84 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.5 mt -73.05 -46.1 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.09 -32.17 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.699 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.7 pt20 -69.2 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 24.9 ttpp -64.42 -7.83 11.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -101.11 -41.28 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -124.67 -51.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -138.13 63.37 1.54 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.699 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.1 ptp -50.9 -19.72 1.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.608 0.242 . . . . 0.0 111.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -81.42 -43.83 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.133 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -71.15 -50.64 40.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.758 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.23 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 44.3 t-20 -53.0 -41.09 64.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.43 -42.39 65.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.967 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 5.5 pt-20 -51.55 -24.36 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.73 -33.12 54.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.669 0.271 . . . . 0.0 111.399 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.29 -30.27 59.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.199 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.44 -36.06 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.254 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -71.13 -34.9 71.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.4 -30.2 57.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.066 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -28.53 65.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.77 -54.51 27.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -73.76 -20.95 60.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -83.36 -9.14 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.873 179.643 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG2' ' H ' ' A' ' 3' ' ' SER . 48.2 ttm . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -29.8 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.588 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 53.1 m -59.72 -35.48 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.83 -29.83 62.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -72.96 -38.95 66.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.745 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 22.0 ptt85 -81.3 -49.21 11.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.07 -53.13 59.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 tpt -67.27 -50.47 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.42 -32.68 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.61 -56.77 4.06 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -56.83 -23.99 47.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 12' ' ' THR . 88.7 m -60.39 -11.45 6.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.855 0.359 . . . . 0.0 111.215 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.11 -21.28 3.17 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.057 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD12 HD11 ' A' ' 22' ' ' LEU . 4.1 mm? -74.76 -59.33 2.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.98 0.39 . . . . 0.0 111.18 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.28 7.31 11.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.473 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.92 19.91 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.528 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.65 158.37 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.252 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -59.39 163.62 3.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.38 -41.12 81.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.301 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.5 pt-20 -58.83 -45.02 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.154 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 44.8 mt-10 -77.58 -28.65 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.571 HD23 HD13 ' A' ' 40' ' ' LEU . 41.6 tp -60.95 -32.97 72.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -77.13 -34.69 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.14 -47.52 76.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.89 -45.08 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.264 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE3' HD21 ' A' ' 48' ' ' LEU . 34.6 mtpt -64.08 -32.2 73.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -70.89 -46.29 62.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.834 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -68.67 -50.33 51.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.678 0.275 . . . . 0.0 111.508 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.12 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.276 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.611 HD13 ' HB ' ' A' ' 35' ' ' ILE . 11.0 mt -97.23 91.15 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.9 p -92.0 -49.74 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.848 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.64 9.51 40.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.964 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.574 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.8 m-85 -104.06 -24.02 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.646 0.26 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 43.96 29.17 0.3 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.591 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.611 ' HB ' HD13 ' A' ' 30' ' ' LEU . 68.9 mt -56.49 138.15 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.877 0.37 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.74 128.83 24.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 32.4 ptt180 -66.53 -44.01 83.63 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -50.94 -28.0 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.63 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' HB2' ' A' ' 43' ' ' ALA . 23.8 m -55.91 -18.18 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.956 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.571 HD13 HD23 ' A' ' 22' ' ' LEU . 2.8 pp -52.92 -11.21 0.21 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.4 -40.53 78.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.06 3.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.689 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -54.17 -29.65 46.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.187 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.411 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 13.8 p-10 -57.99 -52.11 66.88 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -79.7 -64.07 1.27 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -83.61 -56.56 3.66 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 117.577 2.436 . . . . 0.0 117.577 -175.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.666 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.8 mm-40 -68.58 -60.22 2.57 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -173.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.689 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 48.7 mt -59.89 -52.64 64.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.46 -54.48 26.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.33 -33.95 75.22 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -73.63 -57.83 3.72 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 53' ' ' ILE . 4.4 pp -50.63 -32.01 17.73 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.5 mt -52.8 -46.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 111.756 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.67 -27.16 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.742 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.4 t -62.26 -58.66 6.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.04 -35.56 2.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.89 -178.35 29.21 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.207 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.47 -69.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.28 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.014 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.2 m -61.57 -56.04 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.918 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -59.54 -43.54 93.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 58' ' ' ALA . 98.0 t -62.23 -30.96 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 111.375 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.0 m -75.97 -50.05 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.429 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.1 pttp -65.1 -32.64 74.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.57 -31.12 56.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 HD21 ' A' ' 9' ' ' LEU . 21.4 mm -67.3 -41.08 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.55 -42.07 95.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.617 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.6 mt -71.05 -43.49 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.89 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -70.92 -40.72 71.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.687 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.1 pt20 -62.87 -57.37 11.05 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 85.4 tttt -66.05 -7.8 19.51 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -101.76 -41.5 6.51 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 14.4 m120 -125.48 -51.36 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 77' ' ' ILE . 98.2 m-85 -137.48 64.29 1.53 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -176.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.687 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.1 ptt? -50.56 -24.85 3.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -81.45 -34.24 31.59 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.594 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.407 HD12 ' CG ' ' A' ' 74' ' ' TYR . 31.5 mt -70.61 -50.48 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 111.232 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 66' ' ' ILE . . . -57.38 -30.27 64.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.576 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.1 t-20 -52.65 -41.75 64.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.163 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.49 65.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.456 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.39 -45.9 65.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.75 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -58.32 -26.31 62.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.078 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG3' ' HE3' ' A' ' 86' ' ' LYS . 40.3 tt0 -59.27 -33.28 70.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.67 -28.64 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.333 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -51.03 -34.96 31.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' HE3' ' HG3' ' A' ' 83' ' ' GLU . 10.3 mtmp? -57.64 -41.5 81.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.506 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 41.3 tt0 -76.94 -29.03 55.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.78 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.484 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -58.68 -28.57 65.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -51.77 -55.33 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.581 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 18.6 ptp180 -68.88 -15.88 63.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.046 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.4 mtpp -83.18 -21.93 33.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.86 -29.26 69.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 m -60.74 -41.38 95.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 8' ' ' MET . 40.7 mt-10 -75.43 -30.1 59.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.2 -36.75 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.474 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.479 HH21 ' HB1' ' A' ' 58' ' ' ALA . 5.9 ptp180 -81.96 -43.52 17.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 111.702 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.65 -52.95 62.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 mmt -70.33 -46.59 63.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.661 HD22 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -55.86 -31.79 63.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.814 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 52' ' ' LEU . 59.6 mt -84.44 -59.52 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.0 pp -57.88 -23.8 54.73 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 9' ' ' LEU . 15.2 t -65.35 -5.27 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.673 0.273 . . . . 0.0 111.299 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.09 -44.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.577 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -78.98 -2.13 38.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -113.05 14.31 19.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.43 177.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.32 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 72.6 p -95.55 174.46 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.03 -45.47 73.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.449 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.67 -42.18 78.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -77.04 -28.43 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.73 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 40' ' ' LEU . 2.7 tt -62.01 -48.71 79.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.45 -30.91 70.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -62.36 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.33 -56.52 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 35' ' ' ILE . 9.6 mtpm? -55.59 -34.25 64.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.336 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -69.12 -35.69 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.34 -53.85 8.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.45 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -59.84 -51.54 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.389 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.9 mm? -97.06 90.91 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.8 p -91.69 -50.41 5.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.697 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.75 -16.62 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.261 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.83 -22.96 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 47.71 68.11 0.71 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.338 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.479 HD13 ' HE2' ' A' ' 26' ' ' LYS . 21.6 tt -70.03 140.33 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.721 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.97 124.25 23.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.643 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -66.81 -21.42 66.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -63.73 -28.34 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' OE2' ' A' ' 47' ' ' GLU . 49.5 p -56.45 -18.38 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.852 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 22' ' ' LEU . 5.0 mp -47.75 -20.24 0.27 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -53.68 -46.25 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.19 14.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.673 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -43.5 -43.57 5.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.33 -0.85 . . . . 0.0 113.025 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -57.13 -54.73 43.44 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.472 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 45' ' ' ARG . 30.8 ptt180 -81.84 -63.34 1.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.41 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 26.2 m -85.28 -59.21 2.39 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 118.108 2.633 . . . . 0.0 118.108 -175.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.673 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 44.9 mt-10 -71.17 -59.9 2.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -173.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 48' ' ' LEU . 1.1 tt -59.88 -33.68 72.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.192 0.451 . . . . 0.0 111.646 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.78 -54.77 26.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.8 t70 -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.681 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.444 ' ND1' HD12 ' A' ' 35' ' ' ILE . 54.6 t-80 -60.76 -58.23 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.5 pp -54.7 -32.73 59.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.2 mt -56.44 -37.21 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.12 -27.33 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.344 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.1 m -65.66 -58.79 4.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.44 -35.08 2.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.805 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.22 -175.42 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.167 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB1' HH21 ' A' ' 6' ' ' ARG . . . -71.26 -69.92 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.299 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.65 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.643 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.9 m -57.8 -54.83 42.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.957 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 52' ' ' LEU . . . -67.77 -46.99 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.661 HG13 HD22 ' A' ' 9' ' ' LEU . 68.1 t -58.82 -31.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.675 0.274 . . . . 0.0 111.599 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.4 m -76.42 -54.2 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.693 0.283 . . . . 0.0 111.462 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.4 pttp -63.04 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.28 -31.24 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' A' ' 82' ' ' GLU . 34.8 mm -72.51 -42.94 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.69 -37.51 86.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.417 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -75.62 -51.17 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.667 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.35 -36.48 78.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 14.0 pt20 -67.82 -59.47 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 39.8 ttmt -65.59 -7.79 16.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -103.79 -40.8 6.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.36 -50.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -137.67 63.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.663 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.9 ptt? -51.24 -21.29 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.191 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -81.04 -50.96 9.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.483 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.74 -49.92 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.85 -30.75 46.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.0 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 57.8 t30 -57.1 -35.31 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.197 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.89 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -70.48 -38.25 74.37 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.4 pt-20 -57.3 -25.82 59.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.666 0.27 . . . . 0.0 111.56 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.13 -32.98 68.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.2 -29.82 61.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -52.08 -34.65 44.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 86' ' ' LYS . 1.5 tpmt? -51.85 -40.99 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -77.21 -28.94 53.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -53.21 -29.14 30.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.586 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.21 -53.47 57.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.312 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.42 -15.14 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.251 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -73.88 -42.06 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.846 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.8 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.57 -29.42 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.495 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 55.3 m -61.17 -31.64 71.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -75.69 -29.78 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -71.82 -41.29 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.34 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.516 ' O ' HD23 ' A' ' 10' ' ' LEU . 37.8 ptt180 -75.76 -35.37 60.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.63 -52.33 18.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.638 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.88 -49.92 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.4 -35.11 67.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.548 ' HG ' HD21 ' A' ' 52' ' ' LEU . 4.2 mm? -79.99 -56.03 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -52.8 -23.99 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.445 ' N ' HD12 ' A' ' 11' ' ' LEU . 99.3 m -56.15 -34.95 66.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 111.393 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.26 -44.99 3.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.066 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 22' ' ' LEU . 2.9 mm? -58.33 -44.12 88.55 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.861 0.331 . . . . 0.0 111.254 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.13 10.4 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.431 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -122.96 -21.76 5.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.2 pt -93.8 174.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.39 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p -91.18 -179.9 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.225 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.67 -39.93 80.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.65 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -70.48 -28.47 65.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.033 0.444 . . . . 0.0 110.305 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 14' ' ' LEU . 30.7 tp -69.39 -32.55 71.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.489 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -77.76 -38.63 46.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.21 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -70.56 -35.18 72.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -54.72 -53.05 60.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.289 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HE3' ' HG ' ' A' ' 48' ' ' LEU . 63.1 mttp -68.44 -29.64 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.384 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.61 -37.94 77.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.542 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -79.53 -54.46 5.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.65 0.262 . . . . 0.0 111.423 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.62 -52.62 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.613 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 5.7 mp -98.12 90.67 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.433 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -92.15 -49.44 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.47 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.22 0.13 53.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.58 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.658 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 87.4 m-85 -87.33 -23.43 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 44.26 52.52 7.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.222 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.438 ' HB ' HD22 ' A' ' 30' ' ' LEU . 20.5 tt -59.16 145.72 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.009 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -70.45 125.93 28.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.897 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -67.1 -18.95 65.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.447 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -70.6 -28.53 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.177 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.486 HG23 ' HB3' ' A' ' 36' ' ' ALA . 62.5 p -62.17 -18.6 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 37' ' ' ARG . 10.1 mp -51.34 -15.08 0.34 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.73 -50.46 73.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -129.79 14.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.637 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.69 -39.16 7.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.174 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.65 -54.33 47.38 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.456 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.7 ptp180 -80.69 -62.34 1.7 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.425 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 65.4 p -84.72 -59.5 2.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -175.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.685 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -71.42 -60.77 2.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -173.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' HE3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -59.22 -50.43 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.01 -55.13 30.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.28 -39.22 82.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.34 -54.65 33.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' A' ' 10' ' ' LEU . 4.4 pp -54.41 -32.57 57.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.657 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.1 mm -56.92 -41.94 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 111.183 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -57.49 -27.08 62.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.696 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 m -56.52 -58.25 8.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.09 -35.36 2.83 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.89 178.93 28.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.03 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -64.33 -69.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.692 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.43 74.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.953 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -66.37 -56.05 12.94 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -59.28 -48.31 82.1 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG13 HD22 ' A' ' 9' ' ' LEU . 85.7 t -58.05 -30.87 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.684 0.278 . . . . 0.0 111.618 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.3 m -76.34 -51.04 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -23.15 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.32 75.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.325 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.731 HD11 HD21 ' A' ' 9' ' ' LEU . 48.8 mm -66.33 -38.28 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -64.11 -41.7 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 56.4 mt -74.75 -47.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.88 -40.79 96.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.9 pt20 -63.44 -59.58 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 22.3 ttmm -66.01 -8.07 20.85 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -177.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -100.2 -41.75 6.97 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.94 -50.8 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 49.7 m-85 -136.68 62.78 1.59 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.655 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 17.2 ptp -51.66 -19.24 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.117 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -80.97 -50.27 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.063 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.423 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.2 mt -63.03 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.64 -31.13 56.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.536 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.9 t-20 -55.03 -40.2 69.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.0 -32.59 65.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.471 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.427 HD21 ' HG ' ' A' ' 9' ' ' LEU . 50.0 tp -72.26 -44.48 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -55.98 -25.96 46.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.567 0.222 . . . . 0.0 111.399 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.66 -34.03 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -57.3 -30.15 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 85' ' ' LYS . 5.7 tmmm? -57.38 -35.18 69.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.224 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.89 -50.43 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.57 -29.23 62.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.36 -28.16 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.397 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -51.21 -53.12 38.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.739 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -73.53 -20.22 60.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.453 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.29 -21.57 62.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.337 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.421 -179.502 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -69.5 -30.87 68.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -60.9 -26.26 67.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.16 -29.82 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -86.57 -30.29 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.235 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.57 ' HG2' HG21 ' A' ' 62' ' ' VAL . 84.6 mtm180 -81.96 -60.08 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.526 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.525 ' HG2' HD23 ' A' ' 11' ' ' LEU . 39.1 tt0 -55.05 -52.85 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.125 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -58.09 -49.99 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.571 HD22 HG13 ' A' ' 62' ' ' VAL . 8.8 tt -58.5 -31.9 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.775 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.2 mt -78.37 -60.84 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.3 pp -55.11 -25.06 29.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 -2.7 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.16 -31.3 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.713 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 22' ' ' LEU . 3.9 mm? -72.54 -51.81 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.83 5.84 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.017 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.8 11.3 20.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 22' ' ' LEU . 39.0 pt -135.23 -178.16 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 19' ' ' GLU . 13.8 m -86.73 158.64 19.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 18' ' ' THR . 10.9 pt-20 -57.88 -42.31 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.16 -29.16 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.767 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.97 -28.15 55.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 17' ' ' ILE . 96.2 mt -58.2 -49.46 76.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.06 -30.59 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.05 -43.55 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.891 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -67.54 -35.52 79.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.612 ' HD2' HG21 ' A' ' 35' ' ' ILE . 47.9 mmtm -69.69 -40.17 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.86 -29.81 69.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.693 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -79.24 -55.71 4.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.688 0.28 . . . . 0.0 111.555 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -51.43 23.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 111.331 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.603 HD13 ' HB ' ' A' ' 35' ' ' ILE . 7.2 mt -96.77 90.55 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -92.11 -49.62 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.546 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.27 -11.36 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.379 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.583 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -77.99 -23.87 48.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.223 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 42.29 67.86 0.54 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.612 HG21 ' HD2' ' A' ' 26' ' ' LYS . 10.2 tt -73.13 148.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.067 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.77 123.37 17.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.416 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 40' ' ' LEU . 37.1 ptt180 -66.87 -27.67 67.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.377 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p -72.96 -40.76 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.68 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 70.5 p -58.85 -17.62 25.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.905 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 37' ' ' ARG . 8.5 mp -48.54 -21.17 0.52 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.843 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.2 -60.42 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.336 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 m -106.59 10.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.263 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -57.2 -29.19 63.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -57.12 -53.65 55.68 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.068 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.8 ptm180 -81.23 -61.92 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.411 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 64.5 p -83.32 -56.96 3.46 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 -175.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -65.58 -60.37 2.99 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 11.2 mt -55.53 -49.85 71.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -51.79 -55.47 19.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.02 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.29 -36.49 77.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -74.79 -59.31 2.79 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 53' ' ' ILE . 3.2 pp -63.03 -36.41 83.48 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 58' ' ' ALA . 8.5 mm -61.12 -39.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.38 -26.99 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -56.55 -58.44 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.08 -35.68 2.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.15 178.3 26.7 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.801 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.12 -69.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.01 99.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.4 m -57.78 -50.47 73.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.78 -44.69 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.571 HG13 HD22 ' A' ' 9' ' ' LEU . 70.6 t -58.34 -32.38 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.2 p -73.91 -54.06 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.66 0.267 . . . . 0.0 111.686 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.14 -24.16 67.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.095 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -31.59 66.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 82' ' ' GLU . 38.8 mm -73.88 -41.81 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.314 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.422 ' HA ' ' NE2' ' A' ' 70' ' ' GLN . 2.8 t-20 -65.36 -39.33 92.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.83 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.9 mt -74.0 -46.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.752 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -62.74 -45.51 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.77 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.721 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.0 pt20 -60.58 -55.6 31.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 112.03 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 14.4 mmmm -66.37 -7.37 18.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -104.38 -41.55 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -125.38 -51.87 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -138.33 63.57 1.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.721 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 5.2 ppp? -51.66 -13.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.665 0.269 . . . . 0.0 111.439 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -81.26 -49.2 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.796 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.5 tt -70.03 -37.09 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.413 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -57.95 -30.9 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.622 0.249 . . . . 0.0 111.377 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -54.23 -34.07 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.81 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.339 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.2 mp -72.15 -46.48 56.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.813 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -57.51 -26.73 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.81 -38.12 85.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.22 -29.47 68.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.229 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 85' ' ' LYS . 9.0 mtpm? -52.14 -35.07 47.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.433 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 6.9 mtpm? -49.62 -52.29 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 7.7 tp10 -77.43 -28.84 52.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.3 -28.02 17.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.139 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 90' ' ' ARG . 11.8 pt-20 -51.43 -45.24 62.55 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.89 -21.76 60.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.733 0.301 . . . . 0.0 111.146 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -83.54 -20.87 33.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.36 -49.54 73.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -57.8 -38.0 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.408 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.5 -29.22 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.805 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -74.59 -35.0 62.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.653 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 33.0 ptt180 -77.54 -46.47 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.66 0.266 . . . . 0.0 111.621 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 42.6 tt0 -64.78 -51.88 59.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.96 -44.78 96.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.58 HD21 HD11 ' A' ' 66' ' ' ILE . 10.4 tt -67.11 -40.5 86.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.553 HD13 HD21 ' A' ' 52' ' ' LEU . 64.8 mt -75.46 -45.11 40.57 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.9 pp -60.49 -23.74 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.562 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 81' ' ' LEU . 31.5 m -58.47 -16.69 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -104.72 -50.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.937 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 17' ' ' ILE . 3.7 mm? -57.58 -43.47 84.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.888 0.375 . . . . 0.0 111.07 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.82 9.87 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -134.14 22.97 3.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.352 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.45 HD11 HD13 ' A' ' 14' ' ' LEU . 34.0 pt -137.66 158.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.261 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -75.47 172.11 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.5 -42.87 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 10.4 pt-20 -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.105 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 42.5 mt-10 -77.56 -28.49 51.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 40' ' ' LEU . 6.8 tt -54.86 -49.75 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.301 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 55.4 pttt -71.97 -29.3 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.176 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -58.87 -41.19 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.25 -55.85 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HE3' HD22 ' A' ' 40' ' ' LEU . 16.1 mtmm -63.79 -24.21 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.653 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.7 -46.05 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.296 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.99 -47.14 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.425 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 15.3 mt -98.53 90.87 4.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.6 p -92.12 -50.55 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.847 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -96.51 -7.4 34.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.885 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 73.5 m-85 -79.32 -23.68 43.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 42.95 68.3 0.52 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.364 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.4 tt -65.74 154.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.21 127.63 32.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 0.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -67.26 -20.21 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.8 p -72.99 -33.85 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.285 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.553 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 70.9 p -69.91 -18.32 63.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.716 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.621 HD22 HD21 ' A' ' 22' ' ' LEU . 85.6 mt -50.15 -19.2 0.71 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.104 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.26 -63.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.46 14.05 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.692 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -50.1 -37.43 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.393 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.54 -53.77 53.64 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.874 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 46' ' ' THR . 10.5 ptp180 -80.66 -62.81 1.56 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.415 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 58.4 p -85.21 -59.68 2.26 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.692 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 6.3 mm-40 -71.79 -60.85 2.02 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -58.1 -51.23 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -177.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 10' ' ' LEU . . . -53.9 -54.44 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.91 -34.05 75.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -71.51 -57.81 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 10' ' ' LEU . 3.4 pp -55.2 -39.89 70.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 58' ' ' ALA . 2.7 pp -70.28 -26.99 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 0.0 111.725 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' N ' HD12 ' A' ' 53' ' ' ILE . 28.1 tt0 -58.79 -27.16 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.745 0.307 . . . . 0.0 111.27 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -56.39 -57.96 10.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.94 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.41 -35.51 2.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.788 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.74 170.51 23.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.401 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . . . -70.53 -68.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.468 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.02 -32.37 46.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.111 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.0 m -74.98 -55.9 5.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -69.58 -43.81 72.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.405 HG13 HD22 ' A' ' 9' ' ' LEU . 96.8 t -58.05 -30.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.7 p -81.18 -50.08 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.7 pttp -64.33 -28.98 70.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.182 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.88 -30.6 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.58 HD11 HD21 ' A' ' 9' ' ' LEU . 32.8 mm -61.1 -43.18 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.436 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -61.58 -42.29 98.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.772 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -71.92 -51.54 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.25 -46.12 89.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.669 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.5 pt20 -57.99 -53.22 60.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 0.0 111.736 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.557 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 11.8 mmmm -68.73 -7.43 33.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.58 -41.37 5.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -124.98 -51.25 1.68 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -137.6 64.33 1.52 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.669 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 56.8 ttp -50.52 -20.62 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 0.0 111.11 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -80.66 -50.48 9.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.417 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.25 -44.22 97.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.89 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.99 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -52.86 -32.46 44.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.234 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.18 69.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 12' ' ' THR . 96.0 mt -72.37 -47.17 51.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.895 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.56 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -54.84 -30.33 57.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 111.37 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.74 -38.07 85.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -61.38 -29.97 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -53.68 -35.57 61.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -56.96 -38.59 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.56 -29.09 56.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.81 -28.62 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -57.0 -54.62 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.33 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.72 -21.89 64.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.093 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -70.26 -47.68 60.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.6 mtp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.18 -33.37 75.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.438 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 85.4 p -60.09 -25.41 65.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.348 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.97 -45.73 40.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.202 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.56 -29.75 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HG2' HG21 ' A' ' 62' ' ' VAL . 51.1 mtm180 -82.6 -56.84 3.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 0.0 111.912 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.452 ' HG2' HD23 ' A' ' 11' ' ' LEU . 43.4 tt0 -57.26 -53.2 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.13 -50.48 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 66' ' ' ILE . 10.0 tt -57.5 -32.64 67.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.086 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HG ' HD21 ' A' ' 52' ' ' LEU . 3.9 mm? -80.79 -55.66 4.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -55.32 -23.76 25.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.43 ' HB ' HD21 ' A' ' 81' ' ' LEU . 89.5 m -58.23 -22.63 52.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 -39.12 2.08 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.978 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.05 -48.51 79.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.212 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.15 4.02 21.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.528 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -118.45 24.09 11.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.685 0.279 . . . . 0.0 111.433 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.1 pt -136.96 148.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.235 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -63.95 -179.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -45.43 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.394 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.346 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.18 -28.02 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.696 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.597 HD21 HD12 ' A' ' 40' ' ' LEU . 45.6 tp -65.15 -37.33 87.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.03 -30.46 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.76 -52.22 52.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.377 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -54.87 -37.55 66.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -66.79 -31.28 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.374 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -73.02 -50.87 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.63 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -69.26 -54.68 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -52.98 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.715 0.293 . . . . 0.0 111.538 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.602 HD13 ' HB ' ' A' ' 35' ' ' ILE . 12.7 mt -98.49 90.54 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -91.94 -50.54 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.488 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -96.81 -8.92 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.871 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 91.7 m-85 -79.2 -24.42 43.16 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.372 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 42.13 37.92 0.98 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.072 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.602 ' HB ' HD13 ' A' ' 30' ' ' LEU . 16.1 mt -56.46 137.29 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.007 0.432 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.49 145.69 51.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.762 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' O ' HD23 ' A' ' 40' ' ' LEU . 19.8 tpp180 -66.68 -31.01 71.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.081 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -62.52 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 19.6 m -56.54 -20.7 21.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.719 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.597 HD12 HD21 ' A' ' 22' ' ' LEU . 4.3 mm? -57.4 -8.78 0.85 Allowed 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.58 -58.09 7.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.31 14.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.23 -40.81 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.442 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.63 -52.83 63.36 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -79.73 -64.13 1.26 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.5 p -84.46 -58.33 2.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -70.4 -60.67 2.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -173.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.12 -52.51 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -177.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.72 -54.74 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.98 -40.16 83.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.55 -56.23 15.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.525 HD12 HD13 ' A' ' 53' ' ' ILE . 4.4 pp -50.71 -31.87 17.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.7 mm -56.2 -40.25 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.771 0.32 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -58.51 -26.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.698 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -56.53 -59.08 5.5 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.72 -35.67 2.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 53' ' ' ILE . . . 157.22 -173.4 34.75 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.113 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.05 -69.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 63' ' ' THR . . . -67.98 -44.05 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -55.62 -53.05 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.42 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.592 HG13 HD22 ' A' ' 9' ' ' LEU . 80.3 t -69.11 -32.87 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 59' ' ' ALA . 36.6 p -74.04 -52.85 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -33.65 70.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.156 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.85 62.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.256 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 9' ' ' LEU . 39.5 mm -66.23 -44.61 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.378 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.56 -36.48 83.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.808 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 76.9 mt -73.47 -52.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.704 0.287 . . . . 0.0 111.61 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.21 -36.88 81.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.161 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.6 pt20 -69.62 -55.15 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.393 . . . . 0.0 111.646 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 58.4 mtpt -66.86 -7.41 21.59 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.1 mm? -109.01 -40.55 4.96 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -124.16 -51.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 74.5 m-85 -138.0 63.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.4 ptt? -51.05 -21.29 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -80.91 -51.24 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.8 mt -62.45 -46.21 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.725 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -54.09 -30.32 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.955 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -52.25 -32.69 38.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.67 68.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.148 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.56 -45.75 57.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.065 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.481 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -55.41 -32.32 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.619 0.247 . . . . 0.0 111.349 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.97 -33.04 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 4.7 ttmp? -59.55 -30.02 68.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.41 -35.34 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -54.48 -41.43 69.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 42.7 tt0 -74.68 -29.99 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.24 -28.6 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.269 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.06 -54.52 34.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.22 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.49 -17.22 61.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -74.61 -24.94 58.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.83 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -59.08 -35.89 74.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.38 -30.13 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -73.95 -39.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.7 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HB3' HG21 ' A' ' 62' ' ' VAL . 33.5 ptt180 -81.63 -34.76 30.67 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.76 -46.2 69.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.556 ' HA ' HD22 ' A' ' 11' ' ' LEU . 16.3 tpt -70.44 -46.53 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.478 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.534 HD22 HG13 ' A' ' 62' ' ' VAL . 7.8 tt -56.31 -32.19 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.718 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -81.39 -58.26 3.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -56.22 -23.95 38.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 11' ' ' LEU . 69.1 m -60.92 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.394 . . . . 0.0 110.755 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -103.8 -42.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.744 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.68 -44.6 77.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.667 0.27 . . . . 0.0 111.446 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.09 -3.21 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.55 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -113.83 19.35 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.375 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 13' ' ' GLY . 31.0 pt -133.25 177.47 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.349 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 21' ' ' GLU . 5.0 t -95.34 172.51 8.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.39 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.42 -47.46 67.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.751 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.21 -31.78 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.463 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' H ' HG23 ' A' ' 18' ' ' THR . 0.4 OUTLIER -74.48 -28.48 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.262 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.73 -49.14 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.419 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 57.7 mtmt -67.96 -29.46 68.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.845 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.63 -51.92 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -54.32 48.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.433 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HD3' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.11 -24.36 67.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.752 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 51.7 t80 -63.7 -43.52 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.686 0.279 . . . . 0.0 111.221 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -75.97 -55.51 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.813 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 30' ' ' LEU . . . -64.2 -53.36 50.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.669 0.271 . . . . 0.0 111.368 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.642 HD22 ' HB ' ' A' ' 35' ' ' ILE . 5.4 mp -98.5 90.72 4.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.235 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.1 p -91.49 -50.63 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 111.327 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.61 -8.37 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.5 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 97.4 m-85 -78.84 -23.42 45.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.509 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 44.3 68.53 0.53 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.669 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.642 ' HB ' HD22 ' A' ' 30' ' ' LEU . 8.8 tp -55.51 158.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 35' ' ' ILE . . . -85.78 119.55 26.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -67.01 -34.4 77.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.981 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.3 m -69.1 -34.38 75.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.298 . . . . 0.0 111.533 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 80.4 p -73.2 -17.72 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.853 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.5 mt -41.76 -27.81 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.26 -64.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.21 8.32 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.662 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -55.77 -29.09 59.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.31 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.529 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.8 p-10 -57.5 -54.11 50.5 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.308 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -81.06 -61.79 1.85 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.8 t -83.11 -56.6 3.69 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.64 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -68.32 -60.77 2.2 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -173.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 57.6 mt -56.33 -44.11 79.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.469 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -55.15 -56.34 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.73 -33.78 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.54 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 11.1 t-80 -71.66 -57.44 4.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.68 -32.73 71.52 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.5 mm -64.41 -48.4 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 27.1 pt20 -52.91 -26.79 16.01 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -56.27 -57.15 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -122.78 -35.21 3.08 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.28 173.96 22.39 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.647 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -66.84 -69.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.94 -34.26 77.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.4 p -63.35 -50.0 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -72.04 -45.41 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 9' ' ' LEU . 96.5 t -58.07 -30.72 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.584 HG22 ' HE3' ' A' ' 85' ' ' LYS . 40.5 p -77.23 -51.53 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.8 pttp -66.63 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.71 -30.89 45.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 111.016 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 82' ' ' GLU . 46.3 mm -64.26 -46.94 91.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.652 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.11 -38.56 79.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.109 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 68.8 mt -75.53 -52.12 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.48 -34.2 72.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.664 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.8 pt20 -72.4 -56.42 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.535 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 28.9 mtpp -65.85 -7.76 18.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.5 mm? -103.8 -41.27 5.96 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -124.71 -50.88 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -137.39 62.66 1.58 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.664 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 21.0 ptp -51.87 -19.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.685 0.279 . . . . 0.0 111.324 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -81.08 -51.27 8.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.228 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.2 -49.85 79.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.803 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -30.94 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.639 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.454 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.5 t30 -53.08 -36.43 60.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.397 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -32.29 65.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.418 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.9 mt -71.24 -46.77 60.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.125 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.6 pt-20 -55.18 -25.8 34.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.602 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.68 -33.78 70.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -65.13 -28.5 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.584 ' HE3' HG22 ' A' ' 63' ' ' THR . 5.1 ttmp? -51.26 -37.97 50.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.536 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.58 -36.36 69.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.32 -29.01 53.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.706 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.22 -28.49 69.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.23 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.53 -52.36 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.431 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -71.06 -23.39 62.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.388 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -66.54 -28.69 68.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.098 -179.741 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.1 -34.46 73.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -58.35 -42.33 86.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.48 -31.28 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.49 -43.23 93.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.662 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -81.29 -34.63 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 111.514 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.42 -47.0 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.043 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.457 ' HA ' HD22 ' A' ' 11' ' ' LEU . 26.9 ptm -73.14 -42.63 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.481 HD11 HD11 ' A' ' 66' ' ' ILE . 6.3 tt -56.1 -32.03 63.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.643 0.258 . . . . 0.0 111.513 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.493 HD11 HD21 ' A' ' 52' ' ' LEU . 84.7 mt -82.13 -55.02 4.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -58.4 -25.31 61.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.963 -179.085 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.463 ' N ' HD23 ' A' ' 11' ' ' LEU . 10.8 p -68.29 -6.41 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.0 -41.98 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.581 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.3 mm? -58.36 -47.92 82.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.89 10.78 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.583 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -121.02 -11.58 8.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.605 HD11 HD23 ' A' ' 22' ' ' LEU . 29.0 pt -100.16 175.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 111.452 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 m -84.13 155.93 22.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.13 -41.77 75.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.287 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.18 -31.23 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.89 -28.01 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 17' ' ' ILE . 90.1 mt -53.74 -49.32 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.46 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -65.19 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.61 -35.08 78.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.28 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -72.33 -54.84 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.681 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 48' ' ' LEU . 1.3 mptm? -62.32 -35.45 79.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.836 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.27 -30.51 69.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.498 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -79.39 -55.62 4.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.536 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -71.71 -52.15 19.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.194 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.76 91.53 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.2 p -90.42 -45.94 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.949 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -94.73 -15.38 23.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.594 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 58.5 m-85 -79.92 -24.7 40.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.295 -179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 41.48 68.03 0.49 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.042 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 mt -60.9 137.16 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.044 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -61.53 134.72 57.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.475 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HA ' HD13 ' A' ' 40' ' ' LEU . 15.2 ptm180 -67.01 -29.76 69.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.386 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.3 t -67.44 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.791 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.608 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 67.3 p -59.4 -18.27 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.449 HD23 HD13 ' A' ' 22' ' ' LEU . 10.1 mp -55.31 -13.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.603 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.28 -43.52 83.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.81 13.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.662 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -50.44 -29.7 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.078 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.6 p-10 -57.93 -52.74 64.26 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.868 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -79.78 -64.17 1.25 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.9 m -83.72 -57.61 3.15 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.21 -59.9 3.85 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -173.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 80.7 mt -58.93 -46.21 88.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.39 -55.79 19.33 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -68.71 -33.56 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -70.3 -58.72 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.541 HD12 HD13 ' A' ' 53' ' ' ILE . 3.6 pp -64.76 -32.82 74.68 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 58' ' ' ALA . 5.4 mm -60.15 -33.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.864 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -71.34 -27.1 63.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.6 t -58.23 -57.45 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.068 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.61 172.85 22.16 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.501 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.85 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -61.2 -69.83 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.487 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.02 73.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.146 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -47.25 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.499 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.35 -37.0 71.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 58' ' ' ALA . 94.1 t -68.34 -33.26 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 t -80.29 -40.18 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -32.2 67.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 0.0 111.042 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.29 -31.67 54.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.381 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 82' ' ' GLU . 43.8 mm -66.39 -43.24 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.519 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 6.1 t30 -59.31 -40.46 86.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.671 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.0 mt -75.84 -51.92 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.93 0.395 . . . . 0.0 111.718 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.29 -28.21 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.47 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.617 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.9 pt20 -80.61 -54.21 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 111.62 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 30.8 mtpp -67.83 -7.69 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.7 mm? -103.04 -41.27 6.16 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.465 HD22 ' HD2' ' A' ' 74' ' ' TYR . 1.7 p-10 -124.89 -51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -177.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' HD2' HD22 ' A' ' 73' ' ' ASN . 66.1 m-85 -138.06 63.42 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.617 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.9 ptm -51.31 -17.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.991 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -80.78 -51.15 8.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.84 -49.99 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.929 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.43 -30.86 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.749 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 3.2 t-20 -52.8 -35.89 57.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.05 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.636 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -71.93 -46.81 56.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.106 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -54.48 -26.23 30.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.675 0.274 . . . . 0.0 111.737 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.2 mm-40 -62.06 -35.66 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 5.0 ttmp? -56.89 -27.89 61.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.734 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -50.82 -34.79 29.13 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.52 -29.17 52.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -60.77 -28.63 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.422 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.64 -53.03 43.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.441 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.63 -16.96 62.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.8 mtpp -82.31 -25.33 34.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.05 -29.63 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.457 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 78.6 p -60.51 -39.48 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.0 -31.04 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.026 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -70.46 -37.74 74.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 16.0 ptt180 -82.39 -29.14 31.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.644 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.46 -53.27 17.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.0 -44.72 68.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.614 HD22 HG13 ' A' ' 62' ' ' VAL . 10.0 tt -56.6 -33.4 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 52' ' ' LEU . 98.0 mt -83.51 -58.48 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.8 pp -51.72 -25.1 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.5 m -54.59 -34.25 61.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.74 -44.02 2.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.938 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -55.37 -54.77 39.53 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 111.441 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.7 10.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.829 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -122.12 -24.64 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.59 0.233 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.9 pt -90.92 165.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.304 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -84.26 157.4 21.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.89 -31.98 72.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.18 -27.66 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.76 -31.07 69.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG2' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mtmt -70.4 -48.15 57.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.892 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -65.41 -34.96 79.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.58 0.229 . . . . 0.0 111.448 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -62.42 -55.63 25.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.74 0.305 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 31.1 mmtp -58.2 -24.76 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -70.94 -36.46 72.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.46 -51.73 8.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.582 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -64.42 -53.0 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.4 mm? -98.25 90.72 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -91.35 -50.85 5.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 111.346 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.46 -12.72 23.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -82.73 -23.8 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 45.48 68.64 0.55 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.558 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.404 HD13 ' HG ' ' A' ' 30' ' ' LEU . 2.1 tp -49.37 153.81 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -81.41 139.38 35.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 111.546 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' NH1' ' HG2' ' A' ' 23' ' ' LYS . 22.3 tpp180 -66.99 -49.92 63.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.403 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -61.22 -28.9 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 47' ' ' GLU . 11.6 m -59.63 -27.44 66.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.521 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.2 -7.48 0.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 111.205 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG11 HH21 ' A' ' 45' ' ' ARG . 3.5 m -115.38 14.34 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.11 -37.24 4.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.491 HH21 HG11 ' A' ' 42' ' ' VAL . 34.5 ptt180 -80.28 -63.13 1.48 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.402 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 35.3 m -84.95 -58.31 2.75 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 4.4 mm-40 -70.22 -59.65 2.76 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -173.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -52.94 -38.0 61.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -64.7 -55.18 21.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.2 m-20 -68.29 -34.42 76.12 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -62.95 -58.31 7.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 10' ' ' LEU . 3.8 pp -54.45 -31.95 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.1 mt -53.85 -34.88 26.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.438 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -69.97 -27.26 64.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.444 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -70.58 -58.45 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.8 -35.3 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.13 -175.6 23.13 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.132 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.48 -70.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.72 0.295 . . . . 0.0 111.555 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.1 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.1 m -66.79 -50.51 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.615 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -71.09 -42.79 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG13 HD22 ' A' ' 9' ' ' LEU . 68.7 t -59.55 -30.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.606 0.241 . . . . 0.0 111.603 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.5 p -79.99 -46.87 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.615 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 18.3 pttp -67.0 -33.92 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 0.0 111.204 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.02 -30.73 48.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.611 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 82' ' ' GLU . 23.6 mm -65.43 -40.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.431 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 17.6 m120 -67.25 -39.08 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.839 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.0 mt -75.41 -51.55 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.475 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -59.06 -36.31 74.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.396 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.686 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.8 pt20 -68.64 -56.31 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 111.793 -178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 4.6 tppp? -66.24 -8.08 22.45 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -103.04 -40.9 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -124.39 -50.91 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.47 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 53.2 m-85 -137.36 63.09 1.57 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.686 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 55.9 ttp -51.54 -19.92 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.719 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -81.19 -49.9 10.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.47 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.1 mt -66.99 -50.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.615 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -56.12 -30.96 62.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.561 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.4 t-20 -52.98 -32.59 47.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.957 0.408 . . . . 0.0 110.833 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.28 67.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.51 -45.24 60.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.031 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -54.69 -27.05 37.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.28 -37.07 80.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.724 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -56.94 -28.83 62.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.65 -34.56 38.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.808 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -54.09 -39.51 66.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.8 tp10 -77.56 -29.23 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.613 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.63 63.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -50.73 -50.04 56.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.703 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.63 -18.09 61.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.619 0.247 . . . . 0.0 111.444 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -76.89 -17.13 59.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.277 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.126 -179.882 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.79 -29.55 70.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.081 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.435 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 47.7 t -60.87 -34.46 74.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.188 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.11 -29.93 60.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -72.7 -35.37 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.476 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 19.0 ptt180 -82.07 -45.12 15.67 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -62.57 -52.53 63.04 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.68 -49.47 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD22 HG13 ' A' ' 62' ' ' VAL . 9.8 tt -56.15 -33.54 65.31 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.689 HD11 HD21 ' A' ' 52' ' ' LEU . 87.0 mt -77.68 -58.44 3.26 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 4.0 pp -54.23 -24.43 18.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.836 -178.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.433 HG21 HD11 ' A' ' 81' ' ' LEU . 83.5 m -60.1 -32.51 71.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 110.858 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -41.47 4.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.776 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD13 HD11 ' A' ' 17' ' ' ILE . 4.1 mm? -59.1 -35.99 74.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.817 0.342 . . . . 0.0 111.196 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.34 -4.39 55.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.691 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -115.16 -6.38 12.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.581 HD11 HD13 ' A' ' 14' ' ' LEU . 48.8 pt -106.15 159.74 6.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -88.49 169.87 11.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.4 -35.47 77.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.76 -45.8 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.075 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.72 -28.58 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 26' ' ' LYS . 9.7 tt -56.23 -40.75 74.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.828 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.12 -29.74 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.386 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -72.44 -42.54 64.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.431 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.86 -51.58 69.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.332 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HZ3' HD21 ' A' ' 48' ' ' LEU . 4.1 mptp? -60.56 -41.69 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.456 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -69.53 -27.16 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.744 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.74 -56.84 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.519 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -72.54 -52.65 14.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.734 0.302 . . . . 0.0 111.606 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.641 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -98.35 92.28 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.173 -179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.0 p -90.41 -49.87 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.715 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.07 -1.11 49.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.767 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.641 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 70.6 m-85 -92.63 -24.85 18.54 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.064 -0.255 . . . . 0.0 111.244 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 41.88 68.27 0.48 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.833 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 24.1 mt -57.07 137.65 18.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.929 0.395 . . . . 0.0 111.036 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.29 129.33 41.16 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.125 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -67.67 -29.64 68.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.475 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -70.48 -39.45 74.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.559 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.8 p -67.56 -17.5 64.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.996 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD22 ' HE3' ' A' ' 26' ' ' LYS . 97.6 mt -47.06 -24.23 0.61 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -55.84 -56.38 21.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.4 m -107.41 14.16 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.612 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -59.37 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -58.15 -53.93 52.65 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.942 -0.703 . . . . 0.0 111.262 -178.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.401 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.7 ptm180 -81.58 -61.4 1.94 Allowed 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.401 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 79.1 p -82.85 -57.14 3.43 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 117.505 2.409 . . . . 0.0 117.505 -175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -66.0 -60.18 3.09 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 -174.064 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.6 HD21 ' HZ3' ' A' ' 26' ' ' LYS . 19.8 mt -58.78 -39.98 82.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.85 -56.31 22.75 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.578 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.0 m-20 -69.44 -34.64 74.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -60.27 -58.56 7.97 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.689 HD21 HD11 ' A' ' 10' ' ' LEU . 3.1 pp -55.75 -32.55 63.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.5 mt -56.25 -36.39 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.364 . . . . 0.0 111.448 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -73.13 -27.52 61.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.626 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 t -72.68 -58.9 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.34 -35.47 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.03 -178.36 25.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.15 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.33 -69.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 111.524 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.33 -43.84 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.086 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -55.19 -45.64 75.84 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.634 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -69.71 -50.46 43.52 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.568 HG13 HD22 ' A' ' 9' ' ' LEU . 65.7 t -58.13 -30.95 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.702 0.287 . . . . 0.0 111.229 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.9 m -64.09 -55.02 25.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -71.32 -25.23 62.33 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.69 -30.59 44.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.975 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 82' ' ' GLU . 42.8 mm -68.25 -48.28 74.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.475 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -58.64 -38.11 77.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.761 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -74.82 -51.78 21.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.895 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.32 -42.73 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.167 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.7 pt20 -63.55 -54.03 42.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.856 0.36 . . . . 0.0 111.927 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.8 mttp -67.54 -7.73 28.34 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -106.05 -41.39 5.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -125.17 -51.11 1.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -137.85 63.57 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.0 ptp -51.05 -19.78 1.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.767 0.317 . . . . 0.0 111.025 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -80.66 -48.61 12.37 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.67 -44.41 86.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.972 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.69 52.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.65 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 54.6 t30 -53.0 -32.77 48.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.418 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.0 66.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.463 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 12' ' ' THR . 4.1 mm? -72.45 -45.97 57.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.938 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -55.54 -26.12 41.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.485 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.21 -33.22 72.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.787 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -63.88 -29.79 70.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.951 179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -52.19 -34.94 47.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.038 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -54.34 -54.36 41.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.025 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -66.07 -28.9 69.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.34 -28.73 69.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.467 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -52.57 -53.01 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.411 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -70.97 -19.45 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.344 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 30.3 mtpp -73.33 -15.43 61.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.856 0.36 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.5 mt -96.07 -4.36 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 78.6 mtp -96.31 10.86 36.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.0 p -131.15 161.45 32.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.304 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.865 179.828 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.832 0.348 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.88 -29.84 69.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.081 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.634 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.3 m -62.93 -35.93 81.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.933 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.58 -30.34 59.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -73.35 -35.08 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.465 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.634 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 15.9 ptt180 -80.79 -44.22 18.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.775 0.321 . . . . 0.0 111.441 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 40.4 tt0 -62.88 -51.52 66.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.69 -179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.34 -49.68 68.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.613 HD22 HG13 ' A' ' 62' ' ' VAL . 10.1 tt -56.06 -43.56 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 52' ' ' LEU . 85.4 mt -68.81 -61.07 1.96 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.2 pp -51.86 -23.86 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.05 -178.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.6 m -55.13 -32.5 62.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 111.301 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.62 -35.22 3.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 113.135 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.24 -52.72 60.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.317 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -81.38 10.83 5.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.515 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -128.95 30.57 5.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.698 0.285 . . . . 0.0 111.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -140.08 154.76 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.992 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -64.78 168.6 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.292 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.43 -41.16 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.18 -42.68 99.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.203 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -75.32 -28.4 59.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.43 -44.49 80.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -77.71 -30.05 51.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -61.48 -43.32 99.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.213 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -56.38 -54.36 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.554 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' NZ ' ' HG ' ' A' ' 48' ' ' LEU . 60.7 mttm -58.79 -30.34 67.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.716 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -72.68 -34.67 67.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.412 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -78.9 -52.22 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.512 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -63.19 -52.6 61.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.227 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' HG ' ' HB ' ' A' ' 35' ' ' ILE . 1.8 mm? -98.03 91.12 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -90.9 -50.3 5.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.326 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -96.34 -15.95 21.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.414 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.9 m-85 -78.95 -23.82 44.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.368 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 44.77 64.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.251 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.546 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 18.3 tt -66.08 135.62 28.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.708 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -61.41 123.09 16.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.698 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.77 -24.35 66.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.143 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.8 p -64.05 -28.83 70.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 36' ' ' ALA . 67.6 p -59.74 -18.02 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.706 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.5 mt -48.83 -18.93 0.32 Allowed 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -53.9 -42.29 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.925 0.393 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 m -142.63 14.85 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.526 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.46 -38.69 9.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.93 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -57.07 -55.06 39.63 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.293 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HG3' ' H ' ' A' ' 46' ' ' THR . 12.6 ptm180 -81.46 -62.22 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.414 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 71.1 p -84.16 -58.63 2.69 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 -175.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.663 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -70.08 -59.98 2.57 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -59.9 -34.76 73.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -177.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.59 -54.93 28.28 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.53 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.4 t70 -68.85 -34.9 76.25 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.52 -56.69 18.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 10' ' ' LEU . 3.3 pp -54.56 -32.23 58.06 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.705 0.261 . . . . 0.0 111.705 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 52' ' ' LEU . 86.2 mt -60.17 -31.08 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.065 0.459 . . . . 0.0 110.923 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -73.17 -27.26 61.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.06 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 96.4 p -80.76 -57.01 3.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.734 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -121.73 -35.41 3.22 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.12 -179.07 18.71 Favored Glycine 0 C--O 1.229 -0.203 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.528 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.62 -70.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.87 73.44 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.2 t -67.34 -51.57 50.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -71.68 -44.02 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.613 HG13 HD22 ' A' ' 9' ' ' LEU . 76.9 t -58.89 -32.85 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 p -73.57 -50.55 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.714 0.292 . . . . 0.0 111.575 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -22.94 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.211 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.19 -31.95 69.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.538 HG21 ' HB3' ' A' ' 82' ' ' GLU . 35.1 mm -65.02 -44.21 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.385 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.43 -38.19 76.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.789 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 50.1 mt -75.7 -52.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.866 0.365 . . . . 0.0 111.7 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -56.98 -37.35 71.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.221 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.673 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -68.87 -55.31 11.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.973 0.416 . . . . 0.0 111.46 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 96.8 mttt -67.15 -7.61 24.83 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -108.44 -40.73 5.04 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.33 -50.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.518 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 39.9 m-85 -137.01 63.01 1.58 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.673 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 46.5 ttm -51.82 -21.17 2.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -81.14 -51.48 8.41 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.674 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.518 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 63.3 mt -65.38 -48.13 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.56 -30.8 43.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.788 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.6 t30 -55.72 -39.23 70.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.33 66.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.382 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.485 HD21 ' HG ' ' A' ' 9' ' ' LEU . 59.4 tp -72.13 -43.46 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.982 -179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.538 ' HB3' HG21 ' A' ' 66' ' ' ILE . 10.4 pt-20 -59.31 -25.83 64.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.616 0.246 . . . . 0.0 111.384 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.37 -33.96 73.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 5.6 ttpm? -59.74 -28.25 67.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -50.65 -34.57 26.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.788 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -53.06 -38.07 62.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.766 0.317 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -77.62 -29.49 51.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.44 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.519 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -53.11 -55.1 26.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.486 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -69.54 -28.81 66.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -63.05 -23.6 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -109.18 -9.75 15.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.1 tpt -87.32 -24.11 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.5 t -59.42 143.36 49.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.259 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.499 -0.762 . . . . 0.0 111.052 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.81 0.338 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.81 71.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.786 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 53.4 m -59.32 -35.41 73.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.5 -30.13 61.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -68.53 -39.01 81.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.602 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.8 ptt180 -82.13 -33.39 29.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.266 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.52 -48.7 47.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.501 ' HA ' HD22 ' A' ' 11' ' ' LEU . 50.9 tpp -68.92 -49.5 57.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.847 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.45 HD22 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -56.37 -37.19 69.73 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 mm? -75.69 -52.72 9.87 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -61.87 -23.49 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.767 -179.166 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.449 ' N ' HD23 ' A' ' 11' ' ' LEU . 54.9 m -54.98 -35.91 64.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.635 0.255 . . . . 0.0 111.398 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.83 -37.77 4.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.199 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 10' ' ' LEU . 4.5 mm? -57.58 -45.17 85.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.81 0.305 . . . . 0.0 111.366 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.04 10.39 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.49 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -123.56 -18.98 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 22' ' ' LEU . 41.1 pt -93.97 159.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.913 0.387 . . . . 0.0 111.317 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.8 p -78.15 169.36 18.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.293 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.51 -40.13 80.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.46 -44.66 93.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.777 0.323 . . . . 0.0 111.056 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -74.4 -28.3 61.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.636 HD21 HD22 ' A' ' 40' ' ' LEU . 9.5 tt -55.56 -48.27 75.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.001 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.13 -32.72 73.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.072 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.143 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -60.64 -55.85 28.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.622 ' HD2' HD21 ' A' ' 48' ' ' LEU . 1.3 mppt? -60.7 -31.55 70.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.399 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -68.61 -33.75 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -79.9 -55.53 4.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.705 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -70.84 -51.81 24.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.789 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 29' ' ' ALA . 1.7 mm? -96.94 90.78 5.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.907 0.384 . . . . 0.0 110.975 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.7 p -91.48 -49.58 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -95.8 -10.25 29.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.604 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 77.4 m-85 -84.02 -25.49 29.88 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.101 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 41.09 68.41 0.43 Allowed 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.104 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 20.8 mt -65.68 136.46 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.931 0.396 . . . . 0.0 111.035 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.74 132.5 53.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.92 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -67.18 -20.32 65.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.443 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.4 t -73.16 -33.15 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.482 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.502 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 72.5 p -71.02 -17.85 62.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.748 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.636 HD22 HD21 ' A' ' 22' ' ' LEU . 85.9 mt -50.74 -17.64 0.58 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.017 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.26 -47.94 83.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -122.96 13.98 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.85 -30.32 57.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.426 -178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.5 p-10 -58.42 -54.61 45.09 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.519 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' H ' ' HG2' ' A' ' 45' ' ' ARG . 25.5 ptt180 -81.0 -61.31 2.0 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.6 t -82.29 -56.4 3.93 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -175.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -69.69 -60.47 2.29 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -174.266 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 26' ' ' LYS . 42.4 mt -60.48 -51.32 69.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -52.36 -54.29 33.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.026 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.552 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.7 t70 -68.2 -34.94 77.21 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' A' ' 33' ' ' PHE . 36.1 t60 -66.1 -56.91 9.13 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.6 pp -50.46 -32.41 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.602 HD11 ' HD2' ' A' ' 6' ' ' ARG . 81.2 mt -55.99 -39.22 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.887 0.375 . . . . 0.0 111.494 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -64.77 -27.28 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.576 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -68.25 -58.33 4.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.19 2.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.775 0.321 . . . . 0.0 111.687 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.79 -176.91 24.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.031 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -68.19 -69.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.175 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.87 -33.14 73.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.858 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.4 t -66.21 -47.43 73.88 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.87 -46.25 58.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.45 HG13 HD22 ' A' ' 9' ' ' LEU . 94.1 t -57.99 -32.55 43.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.0 p -72.16 -55.17 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -23.17 66.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.77 0.319 . . . . 0.0 111.397 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.53 -31.84 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.237 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG22 ' OE1' ' A' ' 70' ' ' GLN . 28.7 mm -63.49 -43.76 98.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.475 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.93 -36.72 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.985 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 66.1 mt -73.63 -51.21 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 111.682 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.81 -40.77 96.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.0 pt20 -66.21 -58.82 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 40.0 ttmt -64.52 -7.68 11.05 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -177.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.3 mm? -99.15 -41.18 7.63 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -177.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -124.68 -51.59 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.66 ' HB3' HG22 ' A' ' 77' ' ' ILE . 90.8 m-85 -138.7 62.91 1.54 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.661 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.8 ptp -52.15 -12.07 0.22 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -80.91 -51.99 7.96 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.66 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.2 tt -71.89 -47.17 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.486 ' N ' HG23 ' A' ' 77' ' ' ILE . . . -59.18 -30.93 68.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.507 -179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 50.0 t30 -52.98 -45.87 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.28 -32.33 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.607 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.418 HD13 HG21 ' A' ' 12' ' ' THR . 57.7 tp -60.33 -34.93 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 8.1 pt-20 -58.02 -26.11 62.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.31 -32.78 68.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.679 0.275 . . . . 0.0 111.227 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -53.08 -30.18 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.436 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.94 -34.87 66.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.111 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -54.87 -44.96 74.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.9 tp10 -76.72 -28.67 55.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.818 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.85 68.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.938 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.66 -46.34 58.42 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.8 ptt180 -73.2 -21.17 60.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 0.0 111.121 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -76.63 -13.15 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp -103.16 9.49 38.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.987 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.2 mmt -105.47 -11.23 16.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.7 p -73.76 134.38 43.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.986 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.91 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.6 mtt . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.802 0.334 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -62.94 -34.12 76.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.578 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 47.8 t -61.55 -40.56 95.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.37 -29.81 60.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -71.11 -35.79 71.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.323 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.578 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 30.5 ptt85 -82.1 -47.04 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.757 0.313 . . . . 0.0 111.558 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 44.4 tt0 -61.9 -50.03 73.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.897 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.26 -49.48 69.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.9 tp -58.81 -32.24 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 6' ' ' ARG . 3.9 mm? -80.73 -54.39 5.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -58.94 -27.36 65.25 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 p -63.65 -8.85 11.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.659 0.266 . . . . 0.0 111.409 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.34 -37.69 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.573 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.78 -44.97 69.03 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.805 0.336 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.19 10.4 5.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.753 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -115.81 -26.5 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.621 0.248 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.602 HD11 HD23 ' A' ' 22' ' ' LEU . 38.6 pt -92.15 165.03 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.405 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 77.6 p -75.62 165.32 25.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.588 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' ' 22' ' ' LEU . 13.0 mm-40 -59.7 -44.18 93.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.65 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.52 -35.64 74.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.439 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 50.1 mt-10 -76.56 -27.93 56.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.237 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 17' ' ' ILE . 76.6 mt -53.36 -49.1 67.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.554 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -69.38 -31.06 69.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.756 0.312 . . . . 0.0 111.273 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 50.9 mtp180 -60.14 -47.03 87.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.305 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -71.77 -42.93 66.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -59.39 -38.25 80.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -71.96 -29.14 63.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.328 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -76.07 -54.74 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.3 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -66.63 -51.28 57.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.227 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.1 mm? -96.9 91.42 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -90.68 -46.07 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.233 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -94.84 -16.99 22.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.296 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.3 m-85 -83.07 -25.18 32.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.581 0.229 . . . . 0.0 111.03 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 41.36 67.99 0.49 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.048 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 30' ' ' LEU . 25.6 mt -67.67 131.91 32.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 110.574 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.0 139.77 45.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.722 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -66.55 -34.8 78.72 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -61.85 -28.68 69.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.486 HG23 ' HG3' ' A' ' 47' ' ' GLU . 29.1 m -57.92 -20.65 38.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.494 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.4 mt -58.36 -10.83 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.802 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.73 -39.05 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 m -143.71 13.81 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.687 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -51.43 -37.68 49.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.366 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.4 p-10 -57.38 -54.1 50.61 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -176.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 46' ' ' THR . 28.9 ptt180 -81.07 -62.89 1.53 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.9 t -84.09 -58.05 2.93 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 117.639 2.459 . . . . 0.0 117.639 -175.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.687 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 7.3 mm-40 -70.51 -60.18 2.42 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 -173.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -58.4 -41.57 85.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.976 0.353 . . . . 0.0 111.72 -178.298 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -60.04 -54.72 42.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.563 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.2 t70 -68.16 -36.35 79.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -59.29 -57.62 12.23 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.7 pp -52.6 -32.06 39.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 50' ' ' ASP . 82.4 mt -56.12 -37.8 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.758 0.313 . . . . 0.0 111.411 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -74.64 -27.23 60.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.418 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -65.63 -57.45 8.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.723 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.77 -35.63 2.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 53' ' ' ILE . . . 150.89 -179.69 27.38 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.121 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 -70.21 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 111.307 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.75 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.988 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.5 t -63.51 -55.7 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -65.37 -47.32 76.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.5 t -58.35 -32.46 45.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 p -77.98 -51.73 9.91 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 15.1 pttp -61.47 -25.5 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.94 -31.05 49.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 82' ' ' GLU . 41.7 mm -70.06 -40.09 78.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.184 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.408 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 63.1 m-20 -59.32 -40.45 86.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.521 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 62.5 mt -76.34 -51.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.741 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -59.79 -31.84 70.06 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.678 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -70.28 -58.03 4.22 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 27.1 ttpp -67.44 -7.81 28.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.1 mm? -104.16 -40.94 5.96 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -177.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 41.6 t-20 -124.73 -51.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.462 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 25.9 m-85 -138.04 63.15 1.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -176.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.678 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.0 ptm -51.22 -19.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.63 0.253 . . . . 0.0 111.109 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -81.3 -51.47 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.516 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.462 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 72.5 mt -64.36 -46.03 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.855 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.64 -30.69 44.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.81 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.482 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 13.8 m120 -56.41 -43.09 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.875 0.369 . . . . 0.0 111.227 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.18 65.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.46 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.46 -43.98 65.63 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.4 pt-20 -56.07 -25.38 44.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.65 0.262 . . . . 0.0 111.28 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -56.81 -33.2 66.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -56.17 -30.03 61.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.487 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -53.49 -36.7 61.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -59.56 -37.23 77.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.613 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.7 tt0 -76.4 -28.94 56.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.39 67.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -51.75 -54.96 22.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.671 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 15.1 ptm180 -69.07 -23.08 63.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.496 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -74.43 -42.81 58.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 mp -89.8 3.3 53.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.4 ttt -75.76 -21.15 57.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.613 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.7 p -126.41 134.8 50.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.799 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -30.01 71.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.71 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.565 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 49.1 m -61.25 -33.93 74.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -75.18 -30.32 60.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -73.12 -35.13 66.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.038 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.565 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 16.2 ptt180 -82.13 -38.86 24.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.14 -52.18 30.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.742 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 13.5 tpt -63.01 -48.85 77.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.6 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.476 HD21 HD11 ' A' ' 66' ' ' ILE . 3.3 tm? -56.0 -46.26 78.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.273 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 14' ' ' LEU . 2.9 mm? -62.33 -57.45 11.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.548 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.5 pp -60.31 -23.43 64.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.923 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.529 HG21 HD11 ' A' ' 81' ' ' LEU . 90.7 m -52.91 -26.14 13.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.75 0.31 . . . . 0.0 111.395 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -107.83 -42.49 1.43 Allowed Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.973 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 HD11 ' A' ' 17' ' ' ILE . 4.1 mm? -57.2 -45.56 83.66 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.8 10.62 4.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.526 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -130.79 16.17 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.048 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.546 HD11 ' HG ' ' A' ' 22' ' ' LEU . 44.6 pt -131.96 163.21 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.163 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 77.2 p -83.81 165.25 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -63.21 -43.52 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.404 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.5 -45.76 92.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.66 -28.56 63.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 110.616 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 17' ' ' ILE . 3.6 tt -68.52 -37.86 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.1 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.73 -34.04 77.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -73.31 -48.94 30.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -56.36 -54.35 46.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.653 ' HE2' HD21 ' A' ' 48' ' ' LEU . 18.3 ttmt -54.52 -40.27 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.081 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -72.87 -24.32 60.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.52 -55.25 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.259 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.96 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.72 90.97 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.0 p -91.48 -48.56 6.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.816 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -93.17 -10.93 34.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.941 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.59 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 62.4 m-85 -79.43 -24.42 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.09 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 42.03 68.16 0.5 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.89 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 mt -76.69 128.28 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.705 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -50.36 132.34 24.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.779 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' HA ' HD13 ' A' ' 40' ' ' LEU . 35.8 ptt180 -66.9 -21.72 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.261 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -69.24 -28.91 66.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.342 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.498 HG23 ' HB3' ' A' ' 36' ' ' ALA . 46.9 p -67.19 -17.8 64.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.952 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 37' ' ' ARG . 7.4 mp -46.02 -23.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.21 -54.03 48.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.652 0.263 . . . . 0.0 111.399 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.2 14.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.641 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -54.43 -30.91 54.06 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 6.2 p-10 -58.98 -54.52 46.19 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.097 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -81.02 -60.76 2.18 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.2 m -82.32 -57.41 3.38 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 117.41 2.374 . . . . 0.0 117.41 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.641 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -69.48 -60.31 2.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -174.107 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.653 HD21 ' HE2' ' A' ' 26' ' ' LYS . 52.6 mt -60.48 -53.02 62.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.91 -54.37 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.71 -34.6 77.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -69.03 -56.76 6.75 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.0 pp -50.46 -32.42 17.92 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 52' ' ' LEU . 95.3 mt -55.67 -42.89 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.753 0.311 . . . . 0.0 111.737 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -61.65 -27.42 68.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.543 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.9 t -69.85 -58.58 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.32 -35.28 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.16 -176.73 24.94 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.106 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -70.58 -69.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.84 74.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.743 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.18 -50.16 72.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.996 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -70.32 -41.81 72.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 58' ' ' ALA . 71.5 t -59.92 -30.86 46.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.191 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.9 m -71.4 -56.02 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.246 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 16.4 pttp -61.31 -33.52 73.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.298 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.88 -30.93 48.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.476 HD11 HD21 ' A' ' 9' ' ' LEU . 48.3 mm -64.91 -45.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.274 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 2.5 m-20 -66.3 -47.11 74.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.919 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.8 mt -62.44 -47.37 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.805 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -67.67 -46.26 72.87 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.685 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 20.4 pt20 -59.36 -55.32 36.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.933 0.397 . . . . 0.0 111.78 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.25 -7.24 12.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.741 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -109.59 -40.46 4.85 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.12 -50.9 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' HE2' HG22 ' A' ' 17' ' ' ILE . 61.2 m-85 -137.3 63.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.685 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.26 -20.06 1.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.777 0.322 . . . . 0.0 111.038 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -81.06 -51.26 8.68 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.395 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 59.0 mt -61.61 -50.0 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.882 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.29 64.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.978 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.8 t-20 -52.36 -36.0 52.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 0.0 111.316 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -32.79 65.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.863 0.363 . . . . 0.0 111.21 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.529 HD11 HG21 ' A' ' 12' ' ' THR . 3.8 mm? -72.67 -42.2 64.56 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.9 pt-20 -55.09 -25.91 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -69.98 -33.06 71.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.835 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.45 -29.34 64.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.307 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -51.64 -34.92 40.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.031 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -57.26 -38.69 74.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.811 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -77.08 -29.04 54.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.634 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.12 -28.64 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.055 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -54.53 -54.07 46.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.142 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -71.99 -14.22 61.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.318 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 9.0 mtpm? -79.45 -31.45 42.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.331 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.34 9.59 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.06 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 88.5 mmm -88.0 -24.61 23.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.828 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.1 t -114.37 152.05 32.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.053 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.2 t30 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.846 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.671 0.272 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -58.27 -37.15 74.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.028 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.522 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 48.7 m -60.42 -28.03 67.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 0.0 110.723 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -75.65 -43.81 45.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.677 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -63.58 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.22 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.533 ' HG2' HG21 ' A' ' 62' ' ' VAL . 86.5 mtm180 -82.17 -57.88 3.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.503 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.0 tt0 -58.73 -52.88 63.83 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.6 ttm -60.14 -40.25 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.586 HD21 HD11 ' A' ' 66' ' ' ILE . 2.9 tm? -61.22 -33.07 72.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.575 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.612 ' HG ' HD21 ' A' ' 52' ' ' LEU . 4.4 mm? -83.55 -55.75 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.467 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.52 -23.93 11.89 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.435 ' N ' HD12 ' A' ' 11' ' ' LEU . 5.9 p -67.8 -0.21 3.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 111.467 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.64 -42.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.318 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -61.44 -46.75 88.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -74.69 -5.5 43.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.41 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -110.47 16.42 21.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.54 HD11 HD23 ' A' ' 22' ' ' LEU . 45.5 pt -135.17 169.49 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.19 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.2 p -89.25 174.8 7.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.6 mp0 -67.21 -39.08 86.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.463 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 11.3 pt-20 -58.43 -34.4 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.318 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.95 -28.64 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.611 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 19' ' ' GLU . 98.2 mt -58.23 -49.55 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.616 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HE3' ' HA ' ' A' ' 20' ' ' GLU . 22.7 pttp -63.54 -29.37 70.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.704 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -73.13 -37.85 66.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.688 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -71.22 -47.04 59.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -64.66 -32.47 74.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.331 -179.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -71.83 -30.66 65.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.751 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -79.84 -54.66 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.601 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -69.35 -52.65 25.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.8 mm? -97.37 90.44 5.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -91.72 -50.82 5.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.422 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -96.85 -15.06 21.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.449 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -77.81 -23.82 48.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.041 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 45.49 67.7 0.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' HB ' ' HG ' ' A' ' 30' ' ' LEU . 14.8 tt -66.19 142.7 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -68.99 122.44 18.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.564 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.477 ' HA ' HD13 ' A' ' 40' ' ' LEU . 38.5 ptt180 -67.27 -25.25 65.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.403 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.7 m -65.73 -28.88 69.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.498 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.598 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.4 p -66.65 -18.22 65.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 37' ' ' ARG . 9.3 mp -49.74 -17.59 0.36 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -57.33 -40.84 78.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 m -139.91 14.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.64 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.741 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -55.13 -30.23 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.516 -178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.6 p-10 -57.98 -54.35 47.91 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.033 -177.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.474 ' HG3' HG23 ' A' ' 46' ' ' THR . 33.1 ptt180 -81.45 -61.48 1.93 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 45' ' ' ARG . 77.3 p -82.85 -57.35 3.34 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 -175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -69.42 -59.78 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -174.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.741 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 77.5 mt -56.94 -48.61 77.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.25 -55.72 19.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.814 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.93 -33.97 74.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -70.69 -58.32 3.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.612 HD21 ' HG ' ' A' ' 10' ' ' LEU . 4.0 pp -57.46 -33.16 67.67 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.84 -39.7 80.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.713 0.292 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -59.4 -27.11 65.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.467 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.2 m -56.44 -58.36 8.36 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.03 -35.79 2.79 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.33 -179.04 32.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.01 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.75 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.92 -69.74 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.805 0.336 . . . . 0.0 111.766 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.13 84.24 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -59.28 -44.85 92.44 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -72.22 -37.5 69.19 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG21 ' HG2' ' A' ' 6' ' ' ARG . 93.8 t -65.96 -31.47 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.1 t -80.2 -39.13 29.78 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.5 pttp -71.77 -37.12 70.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 111.282 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.27 -30.99 52.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.586 HD11 HD21 ' A' ' 9' ' ' LEU . 47.0 mm -67.0 -39.49 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.371 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.666 ' HA ' HE21 ' A' ' 70' ' ' GLN . 6.8 t30 -67.25 -41.77 85.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.771 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 71.5 mt -69.9 -51.15 42.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -61.95 -43.31 99.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 25.9 pt20 -62.59 -56.92 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.565 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 57.4 tttm -66.78 -7.49 21.67 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.0 mm? -105.35 -41.05 5.63 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -124.77 -51.23 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.93 63.02 1.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 -176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.671 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 22.2 ptm -51.66 -18.75 1.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.652 0.263 . . . . 0.0 111.216 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -80.71 -50.42 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.236 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -63.09 -48.66 86.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.234 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.92 -30.61 47.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.405 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -55.44 -35.13 65.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.834 0.349 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.13 -40.5 68.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.779 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 97.5 mt -71.3 -44.14 65.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.951 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.5 pt-20 -56.53 -27.81 58.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.89 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.07 -29.49 70.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' A' ' 82' ' ' GLU . 29.3 mtmm -51.95 -35.17 45.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.569 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -55.7 -37.84 68.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 38.3 tt0 -77.2 -29.43 54.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.653 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.33 67.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.461 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -51.49 -52.61 45.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.616 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 32.6 ptt180 -71.78 -18.71 62.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.387 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -71.8 -33.11 68.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.93 -6.81 41.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.175 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.0 ttp -114.1 -31.03 6.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.009 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.1 m -61.95 141.73 57.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.4 m120 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.893 -179.845 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.52 -38.32 89.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -63.04 -41.16 99.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.789 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -75.37 -29.86 60.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -71.59 -35.13 70.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.603 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' HD2' HD11 ' A' ' 53' ' ' ILE . 38.8 ptt180 -81.86 -39.39 23.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.443 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG2' HD23 ' A' ' 11' ' ' LEU . 38.9 tt0 -71.72 -53.0 14.92 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.5 tpp -61.15 -50.02 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.691 HD22 HG13 ' A' ' 62' ' ' VAL . 10.1 tt -56.37 -32.58 64.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD1' HD21 ' A' ' 52' ' ' LEU . 81.5 mt -80.57 -61.35 2.0 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.525 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.9 pp -53.18 -26.5 17.48 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 p -69.29 0.88 4.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.73 -26.03 1.82 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD12 HD22 ' A' ' 22' ' ' LEU . 3.5 mm? -82.38 -48.96 10.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -75.35 -3.64 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -107.15 12.34 28.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.485 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.573 HD11 HD23 ' A' ' 22' ' ' LEU . 35.9 pt -136.21 168.67 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.5 p -79.0 162.23 26.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.573 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -60.99 -34.37 74.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.312 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 11.7 pt-20 -60.93 -36.76 80.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.776 0.322 . . . . 0.0 110.718 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -77.97 -29.65 49.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 19' ' ' GLU . 89.7 mt -58.68 -48.8 79.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.593 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 60.7 pttt -68.35 -32.29 72.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.517 -179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -65.87 -52.0 53.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -54.92 -41.34 70.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.282 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -67.58 -26.69 66.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.3 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -73.01 -42.73 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.829 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -73.93 -53.85 9.21 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -62.67 -52.79 61.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 111.084 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -97.85 92.43 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 179.792 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.0 p -90.26 -49.15 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.695 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -95.31 2.97 54.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.789 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.634 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 56.1 m-85 -100.62 -25.04 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.208 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 41.56 68.55 0.44 Allowed 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.108 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.3 140.63 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.945 0.402 . . . . 0.0 111.01 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -66.62 142.34 57.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.735 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -67.45 -35.52 79.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.479 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 85.8 p -60.08 -28.71 68.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.589 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 36' ' ' ALA . 41.8 p -61.36 -23.01 65.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.3 mp -51.31 -19.93 1.48 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.22 -38.81 87.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.31 . . . . 0.0 111.435 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -139.66 14.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.03 0.443 . . . . 0.0 110.793 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -47.5 -38.63 14.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.817 -178.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 5.8 p-10 -58.58 -55.33 36.47 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 12.5 ptp180 -81.26 -61.85 1.83 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 -178.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -83.1 -58.5 2.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.681 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 9.6 mm-40 -70.79 -60.68 2.11 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -174.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.51 -46.69 81.85 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 45' ' ' ARG . . . -54.18 -54.55 38.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.406 ' HA ' HD12 ' A' ' 53' ' ' ILE . 18.3 t70 -67.61 -34.27 76.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -61.09 -57.92 10.52 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 53' ' ' ILE . 2.2 pp -54.94 -32.55 61.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.491 ' N ' HD12 ' A' ' 52' ' ' LEU . 97.3 mt -61.25 -33.83 58.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 111.422 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -73.72 -27.3 61.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.237 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -70.38 -58.17 4.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.893 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.76 -35.44 2.88 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 144.92 -178.84 22.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.401 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.32 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.535 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.74 -35.3 80.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.676 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.5 m -62.33 -47.49 83.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.799 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . . . -71.92 -43.26 65.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.691 HG13 HD22 ' A' ' 9' ' ' LEU . 75.0 t -58.76 -34.82 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 59' ' ' ALA . 29.4 p -68.28 -53.04 27.17 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -70.96 -22.87 62.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.344 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.88 -31.86 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 82' ' ' GLU . 37.6 mm -72.18 -44.43 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -60.97 -38.94 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.912 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 58.2 mt -76.23 -51.8 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -57.02 -39.84 75.53 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.588 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.2 pt20 -63.06 -62.14 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 25.6 ttpp -65.59 -7.71 16.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -100.63 -41.53 6.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -177.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -125.47 -52.56 1.6 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.507 ' HB3' HG22 ' A' ' 77' ' ' ILE . 87.9 m-85 -139.14 62.57 1.53 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -176.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.588 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.5 ptt? -51.96 -13.83 0.33 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -80.47 -51.61 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.507 HG22 ' HB3' ' A' ' 74' ' ' TYR . 18.0 tt -70.61 -35.69 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.38 -30.66 68.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.714 0.292 . . . . 0.0 111.065 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.4 m120 -59.1 -34.88 72.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.81 -40.11 66.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.823 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.95 -41.7 67.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.015 -178.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -56.0 -25.86 46.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.233 . . . . 0.0 111.468 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.25 -34.29 73.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.838 0.351 . . . . 0.0 110.689 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -60.99 -29.79 69.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.74 -35.27 61.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -57.67 -48.05 80.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.662 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 39.6 tt0 -72.12 -28.96 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.553 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -28.8 69.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.046 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -51.68 -55.33 20.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.384 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptm180 -67.21 -23.05 65.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.196 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.85 -27.6 63.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 110.716 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -73.36 -30.0 63.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -87.86 1.94 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.791 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.5 m -78.12 141.53 38.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.967 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.916 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 ptm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -69.85 -29.81 67.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -68.56 -32.03 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -75.71 -38.08 58.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.69 -35.65 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.505 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HD2' HD11 ' A' ' 53' ' ' ILE . 27.9 ptt180 -81.93 -27.95 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.737 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -71.58 -53.32 14.11 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 ptm -69.85 -47.3 63.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.658 HD22 HG13 ' A' ' 62' ' ' VAL . 10.2 tt -56.08 -32.65 64.31 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD11 HD21 ' A' ' 52' ' ' LEU . 88.7 mt -82.77 -54.74 4.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 2.0 pp -58.27 -24.52 59.69 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 p -72.75 1.03 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.661 0.267 . . . . 0.0 111.491 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.54 -45.81 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.635 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 HD22 ' A' ' 22' ' ' LEU . 3.6 mm? -64.61 -54.22 35.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.879 0.371 . . . . 0.0 111.056 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.85 -14.27 62.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.602 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -86.67 -32.08 20.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.646 0.26 . . . . 0.0 111.163 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.58 HD11 HD23 ' A' ' 22' ' ' LEU . 46.1 pt -90.74 172.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.408 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 68.7 p -80.16 169.72 17.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.452 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.3 mp0 -62.62 -45.44 92.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.47 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -57.84 -31.4 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.004 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -77.35 -29.13 53.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 HD11 ' A' ' 17' ' ' ILE . 96.5 mt -58.05 -42.55 85.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.225 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -67.7 -39.32 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.424 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -58.77 -44.33 90.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.415 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -64.81 -56.47 13.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.48 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -56.89 -36.72 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.758 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -72.46 -25.54 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.421 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -77.32 -55.16 5.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.512 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.12 -51.25 26.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.749 0.309 . . . . 0.0 111.347 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 19.1 mt -95.34 91.3 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 p -91.45 -49.33 6.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -93.51 -10.8 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.434 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.61 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 75.6 m-85 -81.27 -23.73 37.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.076 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 42.87 66.59 0.75 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.7 tt -62.65 143.63 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.912 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -64.18 127.88 33.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.434 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' O ' HD13 ' A' ' 40' ' ' LEU . 35.6 ttp180 -66.71 -34.11 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.301 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.1 p -57.84 -28.58 64.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.891 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.563 HG23 ' HB3' ' A' ' 36' ' ' ALA . 43.1 p -59.84 -18.44 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 37' ' ' ARG . 6.3 mp -50.38 -16.3 0.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.71 -52.23 66.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.2 m -132.42 14.9 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.682 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.65 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -42.0 -41.03 2.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.65 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.8 p-10 -57.21 -53.15 61.35 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -177.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -79.88 -64.44 1.19 Allowed 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.8 p -84.53 -57.84 2.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 117.873 2.545 . . . . 0.0 117.873 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.65 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.71 -60.74 2.12 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -173.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.33 -44.28 84.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -177.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -58.42 -54.86 42.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 53' ' ' ILE . 16.5 t70 -67.88 -34.34 76.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -64.36 -57.63 8.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.9 pp -53.91 -32.97 55.25 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.2 mt -56.92 -46.92 83.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -57.68 -27.25 62.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.608 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.0 m -72.23 -58.94 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.35 -35.58 2.76 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.11 176.95 20.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.405 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.91 -69.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.61 76.17 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -65.02 -49.81 68.71 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.456 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -71.52 -41.66 68.92 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 9' ' ' LEU . 77.3 t -58.75 -31.31 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.715 0.293 . . . . 0.0 111.45 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 84.9 m -72.49 -56.51 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.473 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -63.82 -29.13 70.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.14 -30.87 50.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.488 HD11 HD21 ' A' ' 9' ' ' LEU . 40.2 mm -67.0 -47.44 82.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.412 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.556 HD22 ' N ' ' A' ' 67' ' ' ASN . 0.9 OUTLIER -65.54 -34.33 78.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.511 -179.542 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 81.4 mt -75.32 -41.85 43.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.727 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -71.46 -37.81 71.34 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.3 pt20 -65.0 -58.82 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 23.6 ttmm -66.74 -7.96 24.7 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -100.3 -42.05 6.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -126.06 -52.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.494 ' HB3' HG22 ' A' ' 77' ' ' ILE . 85.8 m-85 -138.83 62.8 1.53 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.621 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.7 ptm -52.21 -9.85 0.11 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.94 -51.55 8.43 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.494 HG22 ' HB3' ' A' ' 74' ' ' TYR . 15.9 tt -69.54 -36.06 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.85 71.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.54 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.519 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 49.6 t30 -57.46 -40.69 79.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.96 -32.35 65.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.968 0.413 . . . . 0.0 111.316 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.477 HD21 ' HG ' ' A' ' 9' ' ' LEU . 67.1 tp -71.93 -41.6 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.474 -178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 pt-20 -57.38 -25.84 60.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.575 0.226 . . . . 0.0 111.356 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -57.87 -32.94 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.774 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -59.13 -29.69 67.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.213 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -52.38 -35.44 51.53 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -59.18 -36.84 76.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.555 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -76.57 -29.11 56.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.688 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.67 -28.58 61.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.56 -53.59 36.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.491 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.07 -17.96 61.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.774 0.321 . . . . 0.0 111.261 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -83.55 -21.35 32.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.3 mt -98.85 8.1 45.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.781 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.1 ttp -94.5 -29.47 14.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.793 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.0 p -117.41 139.14 51.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 p30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.977 179.802 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.0 mtt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.87 -29.59 70.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 m -64.66 -31.86 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.37 -31.4 63.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -76.51 -38.85 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.543 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -75.76 -34.94 60.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' HG2' HD23 ' A' ' 11' ' ' LEU . 40.4 tt0 -71.78 -52.5 17.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.722 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.74 -43.86 95.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.822 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 66' ' ' ILE . 3.0 tm? -57.95 -31.93 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -83.58 -60.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 7' ' ' GLU . 3.9 pp -56.31 -25.92 50.37 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.462 HG23 HD13 ' A' ' 81' ' ' LEU . 13.1 t -63.2 -5.65 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 111.09 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.78 -41.38 0.57 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.423 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.85 -47.51 84.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.815 0.34 . . . . 0.0 111.075 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.33 9.44 7.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.495 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -129.19 23.51 5.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.598 0.237 . . . . 0.0 111.618 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.8 pt -134.81 153.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.844 0.354 . . . . 0.0 111.332 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -67.58 166.28 15.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.5 -34.79 76.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG3' ' HG2' ' A' ' 21' ' ' GLU . 11.2 pt-20 -62.7 -46.03 90.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.035 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HG2' ' HG3' ' A' ' 20' ' ' GLU . 11.0 mm-40 -77.19 -28.24 53.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.708 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 40' ' ' LEU . 43.7 tp -53.18 -46.55 68.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.393 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -73.56 -34.39 65.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.399 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.42 -38.18 79.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.88 -52.24 64.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.196 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -61.97 -30.87 71.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 111.062 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -66.73 -44.65 81.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.518 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -79.69 -54.92 5.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.647 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.95 65.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.768 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.47 HD13 HD13 ' A' ' 35' ' ' ILE . 7.5 mt -97.26 90.45 5.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 0.0 111.204 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.3 p -92.14 -49.99 5.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.533 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.12 -14.07 23.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.752 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.443 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 79.7 m-85 -77.82 -25.39 48.8 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.01 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 40.99 67.67 0.5 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.379 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.47 HD13 HD13 ' A' ' 30' ' ' LEU . 1.7 mp -75.08 137.67 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.721 0.296 . . . . 0.0 110.511 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -67.8 141.98 56.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.414 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -66.9 -33.05 74.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.6 p -59.45 -28.57 67.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.715 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.517 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 41.3 p -66.73 -17.59 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 22' ' ' LEU . 68.7 mt -50.7 -16.59 0.41 Allowed 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.01 -38.97 84.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.703 0.287 . . . . 0.0 111.411 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.5 14.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.685 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -52.86 -30.04 31.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.5 p-10 -58.24 -54.19 49.73 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.734 -178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -81.25 -60.77 2.16 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.7 t -82.49 -56.61 3.78 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 117.438 2.384 . . . . 0.0 117.438 -175.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.644 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -67.02 -60.11 2.91 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -174.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 17.6 mt -58.48 -50.69 72.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.53 -55.06 24.74 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.12 -34.72 76.9 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -74.57 -58.66 3.15 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.06 -35.55 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.9 mm -60.59 -42.88 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.59 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -57.01 -26.56 60.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.594 0.235 . . . . 0.0 111.422 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.8 t -56.44 -58.03 9.75 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.55 -35.58 2.9 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.28 176.61 25.95 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.437 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.64 -69.73 0.3 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.95 74.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.4 m -64.46 -50.81 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.24 -39.06 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 58' ' ' ALA . 44.1 t -57.94 -35.2 50.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.9 p -71.57 -54.6 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 111.755 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -23.08 66.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.479 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.88 75.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 82' ' ' GLU . 26.6 mm -69.09 -38.42 78.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -60.86 -42.49 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.518 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.4 mt -75.34 -44.33 42.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.539 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -60.28 -46.41 89.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 112.211 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.678 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.2 pt20 -62.23 -57.52 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.514 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 62.9 tttm -65.23 -8.06 15.8 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -99.21 -42.09 7.2 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -125.88 -52.03 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.647 ' HB3' HG22 ' A' ' 77' ' ' ILE . 52.7 m-85 -138.55 63.01 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.678 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 58.2 ttp -52.22 -12.36 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.619 0.247 . . . . 0.0 111.535 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -80.57 -51.83 8.3 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.647 HG22 ' HB3' ' A' ' 74' ' ' TYR . 16.6 tt -71.59 -38.2 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.97 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.182 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 3.4 t-20 -56.38 -40.66 74.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.93 -32.31 65.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.507 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.462 HD13 HG23 ' A' ' 12' ' ' THR . 55.2 mt -70.04 -46.2 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.049 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.0 pt-20 -56.13 -25.51 46.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.553 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -56.81 -33.17 66.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.392 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.416 ' NZ ' HD23 ' A' ' 9' ' ' LEU . 6.6 ttpm? -56.7 -29.5 62.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.326 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.91 -35.23 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HB2' ' NZ ' ' A' ' 86' ' ' LYS . 10.4 mtmp? -55.23 -49.02 73.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 43.0 tt0 -71.54 -29.65 65.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.768 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -28.47 68.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.368 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -52.57 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.473 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 16.2 ptp180 -72.21 -21.59 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.332 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 27.6 mtpp -70.61 -34.54 72.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.834 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.02 1.96 56.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.75 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.7 ttp -91.66 -29.2 17.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.1 p -64.36 138.13 58.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.007 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.012 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.853 0.359 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.485 ' HB2' HH21 ' A' ' 6' ' ' ARG . 0.0 OUTLIER -62.44 -29.41 70.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.962 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.1 p -55.26 -31.49 61.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.417 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -65.88 -31.85 73.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -77.58 -25.43 49.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.485 HH21 ' HB2' ' A' ' 2' ' ' GLU . 15.9 mmt180 -81.74 -54.43 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.471 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.535 ' HG3' ' HA ' ' A' ' 45' ' ' ARG . 37.9 tt0 -61.63 -53.19 59.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.342 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.1 ttp -59.19 -49.19 78.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD22 HG13 ' A' ' 62' ' ' VAL . 8.2 tt -55.99 -31.35 62.96 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.747 HD11 HD21 ' A' ' 52' ' ' LEU . 76.2 mt -80.99 -60.48 2.28 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -53.23 -25.93 16.01 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.419 ' N ' HD12 ' A' ' 11' ' ' LEU . 7.4 p -63.48 -8.34 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.748 0.309 . . . . 0.0 111.272 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -122.83 -41.28 0.46 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.184 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.8 mm? -58.01 -43.13 86.52 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.927 0.394 . . . . 0.0 110.731 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.98 10.69 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.333 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.55 19.41 3.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.54 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 13' ' ' GLY . 41.7 pt -130.96 164.23 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.359 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.8 m -92.04 155.34 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.022 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.44 -31.84 68.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.483 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 11.9 pt-20 -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 42.7 mt-10 -77.86 -28.41 50.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -54.27 -43.83 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.2 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -60.83 -31.4 70.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.268 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.56 -43.94 62.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.507 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -65.62 -50.35 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.5 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.484 ' HE3' HD22 ' A' ' 40' ' ' LEU . 4.0 mptp? -60.49 -40.74 92.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.733 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -71.84 -38.57 70.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.828 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -61.93 -56.26 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.02 -52.07 18.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.922 0.392 . . . . 0.0 111.266 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.704 HD13 ' HB ' ' A' ' 35' ' ' ILE . 14.4 mt -97.71 90.86 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.7 p -91.65 -50.13 5.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.433 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -95.99 -7.12 37.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.785 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -84.55 -24.63 29.19 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.557 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 41.98 68.12 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 111.134 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.704 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.0 tt -60.63 147.11 10.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.141 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.6 123.49 17.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.602 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -67.19 -29.86 69.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.932 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -70.76 -37.16 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.485 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.607 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 75.7 p -66.25 -18.45 65.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.569 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD22 ' HE3' ' A' ' 26' ' ' LYS . 96.3 mt -52.1 -19.86 2.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.508 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.19 -61.57 2.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.045 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -106.22 14.14 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.655 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -55.88 -30.96 62.36 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.51 -54.22 48.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.055 -0.658 . . . . 0.0 112.613 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.535 ' HA ' ' HG3' ' A' ' 7' ' ' GLU . 27.2 ptt180 -81.54 -62.91 1.51 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.416 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 28.1 m -84.18 -57.44 3.18 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -69.44 -59.64 2.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 -173.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -53.63 -38.46 64.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.262 0.483 . . . . 0.0 112.066 -178.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -63.64 -55.1 26.21 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.892 0.331 . . . . 0.0 111.892 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.64 -33.83 75.74 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -64.86 -57.85 7.75 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.747 HD21 HD11 ' A' ' 10' ' ' LEU . 4.2 pp -58.12 -32.6 68.29 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 52' ' ' LEU . 93.2 mt -58.23 -34.64 50.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.381 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -75.17 -27.46 59.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.4 m -69.98 -57.68 4.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.662 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.68 -35.29 2.91 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.23 -178.63 21.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.248 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.96 -69.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.847 0.355 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 6' ' ' ARG . . . -68.11 -37.21 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.801 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 52.3 m -61.17 -53.79 52.52 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.44 ' HB3' HD13 ' A' ' 52' ' ' LEU . . . -68.36 -47.89 66.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.633 HG13 HD22 ' A' ' 9' ' ' LEU . 85.1 t -58.59 -34.47 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.6 m -66.0 -55.24 17.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.633 0.254 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -22.96 64.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.155 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -36.97 74.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.571 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 9' ' ' LEU . 40.2 mm -64.83 -41.28 91.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.255 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -44.03 97.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.83 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -71.39 -51.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.79 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -54.92 -49.61 70.86 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.676 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.6 pt20 -58.73 -56.39 22.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 111.915 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 98.4 mttt -66.62 -7.63 21.7 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.9 mm? -105.71 -41.01 5.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -177.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -124.54 -51.17 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.433 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 69.9 m-85 -137.69 62.42 1.58 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.676 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 19.2 ptt? -52.12 -18.67 1.55 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -80.81 -51.28 8.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.057 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.6 mt -65.57 -47.82 85.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.468 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.0 -30.93 49.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.516 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 26.0 t-20 -52.98 -37.15 61.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.972 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.85 -33.88 66.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.321 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -43.37 65.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.898 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 9.2 pt-20 -57.72 -26.21 61.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.317 . . . . 0.0 110.88 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.0 mm-40 -65.32 -33.15 75.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 26.0 ttmt -60.29 -28.8 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.17 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.41 -34.98 37.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.482 ' NZ ' ' HB2' ' A' ' 86' ' ' LYS . 4.7 ttmp? -50.77 -46.78 59.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 33.0 tt0 -77.67 -31.2 52.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.98 -28.6 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.498 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -53.25 -51.64 61.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.82 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 40.7 ptt180 -72.89 -13.15 61.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.526 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -78.66 -11.74 59.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.722 0.296 . . . . 0.0 111.229 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp -107.19 8.68 30.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.5 mmt -108.62 -7.06 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -125.75 164.36 20.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.919 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.51 -29.92 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.1 p -62.14 -30.0 70.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.46 -32.89 60.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -66.89 -38.69 86.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.252 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.497 HH11 HG13 ' A' ' 53' ' ' ILE . 38.4 ptt180 -81.0 -45.54 16.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.321 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.83 -49.07 77.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.594 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.0 tpt -66.36 -49.43 66.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.884 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 66' ' ' ILE . 22.7 tp -60.1 -31.46 70.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.691 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.7 mt -78.99 -60.3 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.2 pp -54.23 -26.16 27.08 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.14 -3.15 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 111.236 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.82 -40.77 0.48 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.245 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -59.92 -48.29 82.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 110.703 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.14 9.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.52 17.69 9.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 22' ' ' LEU . 23.1 pt -131.14 151.6 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.373 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.7 p -63.96 172.95 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -68.15 -43.32 78.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.22 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.01 -46.55 87.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.31 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -70.25 -28.61 65.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.964 0.412 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HG ' HD11 ' A' ' 40' ' ' LEU . 62.0 tp -58.58 -37.04 74.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.021 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -78.1 -33.56 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -63.5 -44.75 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.538 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -58.86 -57.02 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.235 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HB3' HG21 ' A' ' 35' ' ' ILE . 26.9 mtpp -58.8 -37.21 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -70.21 -25.83 63.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -79.3 -54.13 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -64.96 -51.5 61.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.1 mm? -92.99 90.23 6.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.823 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.2 p -91.93 -49.93 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -96.31 -16.56 21.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.039 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -77.99 -23.11 48.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.095 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 47.35 68.08 0.7 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.581 HG21 ' HB3' ' A' ' 26' ' ' LYS . 4.9 tp -54.99 158.2 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.98 127.83 47.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 0.0 111.96 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 14.2 ptm180 -66.71 -21.56 66.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.331 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.4 t -59.55 -32.3 70.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.969 0.414 . . . . 0.0 111.041 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.545 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 51.9 p -77.33 -18.31 57.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.821 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 10.6 tp -43.53 -23.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.301 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.55 -54.57 45.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.533 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -125.7 14.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 111.373 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.676 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -51.78 -30.07 21.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.3 -55.05 39.99 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.125 -0.63 . . . . 0.0 112.452 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' H ' ' A' ' 46' ' ' THR . 11.8 ptp180 -81.28 -61.84 1.83 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 -178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.413 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 71.8 p -83.3 -57.15 3.38 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 -175.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.668 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -69.33 -59.75 2.79 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -173.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.676 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 40.8 mt -54.31 -43.77 71.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 118.32 0.509 . . . . 0.0 111.269 -178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.569 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.14 -54.89 33.51 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.97 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.43 -34.1 76.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -72.28 -58.11 3.67 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.17 -33.08 73.84 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.2 mm -59.13 -40.78 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.574 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -57.97 -26.56 62.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.613 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.1 t -56.23 -57.7 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.7 -35.68 2.86 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.41 177.48 27.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.193 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.734 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -65.39 -69.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.34 77.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.7 p -65.01 -56.29 14.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.582 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -59.16 -43.5 92.11 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 58' ' ' ALA . 59.5 t -62.42 -30.97 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.0 m -72.73 -48.22 40.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 11.7 pttp -71.17 -25.12 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.017 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.34 -31.13 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.521 HD11 HD21 ' A' ' 9' ' ' LEU . 35.7 mm -67.73 -41.48 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.95 -37.41 75.84 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.5 mt -73.05 -46.1 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -71.09 -32.17 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.699 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.7 pt20 -69.2 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 24.9 ttpp -64.42 -7.83 11.28 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.8 mm? -101.11 -41.28 6.81 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -124.67 -51.66 1.71 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -138.13 63.37 1.54 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.699 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 23.1 ptp -50.9 -19.72 1.09 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.608 0.242 . . . . 0.0 111.326 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -81.42 -43.83 18.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.133 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -71.15 -50.64 40.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.758 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.86 -31.23 68.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.277 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 44.3 t-20 -53.0 -41.09 64.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.43 -42.39 65.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.445 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.01 -33.64 67.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.967 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 5.5 pt-20 -51.55 -24.36 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.73 -33.12 54.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.669 0.271 . . . . 0.0 111.399 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -55.29 -30.27 59.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.199 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.44 -36.06 66.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.254 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -71.13 -34.9 71.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.4 -30.2 57.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.066 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -28.53 65.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.196 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.77 -54.51 27.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -73.76 -20.95 60.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -83.36 -9.14 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.247 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.5 mt -116.43 -0.13 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.873 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.5 ttt -91.76 -34.48 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.799 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.7 p -111.6 158.98 18.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.053 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.759 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG2' ' H ' ' A' ' 3' ' ' SER . 48.2 ttm . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -29.8 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.588 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 53.1 m -59.72 -35.48 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -73.83 -29.83 62.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -72.96 -38.95 66.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.745 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 3' ' ' SER . 22.0 ptt85 -81.3 -49.21 11.0 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -55.07 -53.13 59.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.3 tpt -67.27 -50.47 60.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.42 -32.68 65.09 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.7 mt -79.61 -56.77 4.06 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -56.83 -23.99 47.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 12' ' ' THR . 88.7 m -60.39 -11.45 6.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.855 0.359 . . . . 0.0 111.215 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.11 -21.28 3.17 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.494 -0.86 . . . . 0.0 113.057 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD12 HD11 ' A' ' 22' ' ' LEU . 4.1 mm? -74.76 -59.33 2.78 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.98 0.39 . . . . 0.0 111.18 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -81.28 7.31 11.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.473 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.92 19.91 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.528 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.5 pt -138.65 158.37 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.252 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -59.39 163.62 3.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.38 -41.12 81.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.301 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.5 pt-20 -58.83 -45.02 90.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.154 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 44.8 mt-10 -77.58 -28.65 51.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.571 HD23 HD13 ' A' ' 40' ' ' LEU . 41.6 tp -60.95 -32.97 72.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.07 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -77.13 -34.69 56.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -65.14 -47.52 76.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -54.89 -45.08 74.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.264 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE3' HD21 ' A' ' 48' ' ' LEU . 34.6 mtpt -64.08 -32.2 73.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -70.89 -46.29 62.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.834 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -68.67 -50.33 51.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.678 0.275 . . . . 0.0 111.508 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.12 70.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.276 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD13 ' HB ' ' A' ' 35' ' ' ILE . 11.0 mt -97.23 91.15 5.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.9 p -92.0 -49.74 6.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.848 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -95.64 9.51 40.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.964 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.574 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 65.8 m-85 -104.06 -24.02 13.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.646 0.26 . . . . 0.0 111.174 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 43.96 29.17 0.3 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.591 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.611 ' HB ' HD13 ' A' ' 30' ' ' LEU . 68.9 mt -56.49 138.15 17.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.877 0.37 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.74 128.83 24.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 32.4 ptt180 -66.53 -44.01 83.63 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -50.94 -28.0 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.63 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' HB2' ' A' ' 43' ' ' ALA . 23.8 m -55.91 -18.18 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.956 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.571 HD13 HD23 ' A' ' 22' ' ' LEU . 2.8 pp -52.92 -11.21 0.21 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -57.4 -40.53 78.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.682 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.06 3.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.689 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -54.17 -29.65 46.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.187 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.411 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 13.8 p-10 -57.99 -52.11 66.88 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -79.7 -64.07 1.27 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 47' ' ' GLU . 3.1 t -83.61 -56.56 3.66 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 117.577 2.436 . . . . 0.0 117.577 -175.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.666 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.8 mm-40 -68.58 -60.22 2.57 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -173.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.689 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 48.7 mt -59.89 -52.64 64.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -51.46 -54.48 26.48 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.33 -33.95 75.22 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -73.63 -57.83 3.72 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 53' ' ' ILE . 4.4 pp -50.63 -32.01 17.73 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.5 mt -52.8 -46.45 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 111.756 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.67 -27.16 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.742 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.4 t -62.26 -58.66 6.92 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.04 -35.56 2.82 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.89 -178.35 29.21 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.207 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.47 -69.79 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.93 -36.28 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.014 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.2 m -61.57 -56.04 24.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.918 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -59.54 -43.54 93.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 58' ' ' ALA . 98.0 t -62.23 -30.96 50.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.678 0.275 . . . . 0.0 111.375 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 90.0 m -75.97 -50.05 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.429 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.1 pttp -65.1 -32.64 74.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.57 -31.12 56.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.579 HD11 HD21 ' A' ' 9' ' ' LEU . 21.4 mm -67.3 -41.08 86.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -64.55 -42.07 95.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.617 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.6 mt -71.05 -43.49 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.89 -179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -70.92 -40.72 71.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.687 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 21.1 pt20 -62.87 -57.37 11.05 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 85.4 tttt -66.05 -7.8 19.51 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -101.76 -41.5 6.51 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' ND2' ' HB3' ' A' ' 21' ' ' GLU . 14.4 m120 -125.48 -51.36 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CG ' HD12 ' A' ' 77' ' ' ILE . 98.2 m-85 -137.48 64.29 1.53 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -176.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.687 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.1 ptt? -50.56 -24.85 3.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -81.45 -34.24 31.59 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.594 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.407 HD12 ' CG ' ' A' ' 74' ' ' TYR . 31.5 mt -70.61 -50.48 44.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 111.232 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.465 ' HB1' HG23 ' A' ' 66' ' ' ILE . . . -57.38 -30.27 64.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.576 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.1 t-20 -52.65 -41.75 64.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.163 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.49 65.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.456 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.39 -45.9 65.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.75 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.502 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -58.32 -26.31 62.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.724 0.297 . . . . 0.0 111.078 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG3' ' HE3' ' A' ' 86' ' ' LYS . 40.3 tt0 -59.27 -33.28 70.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -60.67 -28.64 68.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.333 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -51.03 -34.96 31.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.33 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' HE3' ' HG3' ' A' ' 83' ' ' GLU . 10.3 mtmp? -57.64 -41.5 81.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 110.506 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 41.3 tt0 -76.94 -29.03 55.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.78 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.484 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -58.68 -28.57 65.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.403 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -51.77 -55.33 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.581 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 18.6 ptp180 -68.88 -15.88 63.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.046 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.4 mtpp -83.18 -21.93 33.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -89.77 -33.67 16.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 45.4 ttm -75.04 -30.41 61.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.589 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.3 m -90.83 121.26 32.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.005 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.986 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.86 -29.26 69.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 m -60.74 -41.38 95.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.017 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 8' ' ' MET . 40.7 mt-10 -75.43 -30.1 59.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.2 -36.75 80.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.474 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.479 HH21 ' HB1' ' A' ' 58' ' ' ALA . 5.9 ptp180 -81.96 -43.52 17.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.845 0.355 . . . . 0.0 111.702 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -56.65 -52.95 62.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 17.9 mmt -70.33 -46.59 63.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.661 HD22 HG13 ' A' ' 62' ' ' VAL . 9.9 tt -55.86 -31.79 63.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.814 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.494 HD11 HD21 ' A' ' 52' ' ' LEU . 59.6 mt -84.44 -59.52 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.0 pp -57.88 -23.8 54.73 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 9' ' ' LEU . 15.2 t -65.35 -5.27 6.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.673 0.273 . . . . 0.0 111.299 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.09 -44.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.577 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.181 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -78.98 -2.13 38.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -113.05 14.31 19.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.43 177.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.32 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LEU . 72.6 p -95.55 174.46 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.03 -45.47 73.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.449 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.67 -42.18 78.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.332 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -77.04 -28.43 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.73 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 40' ' ' LEU . 2.7 tt -62.01 -48.71 79.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.45 -30.91 70.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -62.36 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -63.33 -56.52 15.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 35' ' ' ILE . 9.6 mtpm? -55.59 -34.25 64.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.336 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -69.12 -35.69 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -74.34 -53.85 8.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.45 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -59.84 -51.54 69.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.389 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 30' ' ' LEU . 1.9 mm? -97.06 90.91 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.805 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.8 p -91.69 -50.41 5.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.697 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.75 -16.62 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.261 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -77.83 -22.96 49.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 47.71 68.11 0.71 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.338 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.479 HD13 ' HE2' ' A' ' 26' ' ' LYS . 21.6 tt -70.03 140.33 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.721 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.97 124.25 23.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.643 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -66.81 -21.42 66.04 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.066 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -63.73 -28.34 69.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.422 HG22 ' OE2' ' A' ' 47' ' ' GLU . 49.5 p -56.45 -18.38 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.852 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 22' ' ' LEU . 5.0 mp -47.75 -20.24 0.27 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -53.68 -46.25 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.156 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -141.19 14.92 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.478 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.673 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -43.5 -43.57 5.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.33 -0.85 . . . . 0.0 113.025 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -57.13 -54.73 43.44 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.005 -0.678 . . . . 0.0 112.472 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 45' ' ' ARG . 30.8 ptt180 -81.84 -63.34 1.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.41 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 26.2 m -85.28 -59.21 2.39 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 118.108 2.633 . . . . 0.0 118.108 -175.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.673 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 44.9 mt-10 -71.17 -59.9 2.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -173.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 48' ' ' LEU . 1.1 tt -59.88 -33.68 72.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.192 0.451 . . . . 0.0 111.646 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.78 -54.77 26.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.566 ' HA ' HD12 ' A' ' 53' ' ' ILE . 15.8 t70 -67.4 -34.0 76.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.681 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.444 ' ND1' HD12 ' A' ' 35' ' ' ILE . 54.6 t-80 -60.76 -58.23 9.33 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 53' ' ' ILE . 3.5 pp -54.7 -32.73 59.91 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 50' ' ' ASP . 97.2 mt -56.44 -37.21 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -75.12 -27.33 59.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.344 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.1 m -65.66 -58.79 4.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.44 -35.08 2.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.79 0.328 . . . . 0.0 111.805 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.22 -175.42 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.167 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB1' HH21 ' A' ' 6' ' ' ARG . . . -71.26 -69.92 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.727 0.299 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.65 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.643 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.9 m -57.8 -54.83 42.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.957 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 52' ' ' LEU . . . -67.77 -46.99 70.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.661 HG13 HD22 ' A' ' 9' ' ' LEU . 68.1 t -58.82 -31.11 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.675 0.274 . . . . 0.0 111.599 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.4 m -76.42 -54.2 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.693 0.283 . . . . 0.0 111.462 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.4 pttp -63.04 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.28 -31.24 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.015 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' A' ' 82' ' ' GLU . 34.8 mm -72.51 -42.94 63.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -62.69 -37.51 86.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.417 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 54.2 mt -75.62 -51.17 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.667 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -60.35 -36.48 78.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 14.0 pt20 -67.82 -59.47 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 39.8 ttmt -65.59 -7.79 16.77 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -103.79 -40.8 6.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -177.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -124.36 -50.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -137.67 63.11 1.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.663 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 26.9 ptt? -51.24 -21.29 2.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 111.191 179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -81.04 -50.96 9.03 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.483 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.74 -49.92 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.85 -30.75 46.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.0 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 57.8 t30 -57.1 -35.31 69.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.197 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.89 59.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.1 mm? -70.48 -38.25 74.37 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.4 pt-20 -57.3 -25.82 59.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.666 0.27 . . . . 0.0 111.56 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.13 -32.98 68.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.2 -29.82 61.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -52.08 -34.65 44.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' HA ' ' HE3' ' A' ' 86' ' ' LYS . 1.5 tpmt? -51.85 -40.99 61.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -77.21 -28.94 53.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -53.21 -29.14 30.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.586 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.21 -53.47 57.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.312 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -72.42 -15.14 61.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.251 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -73.88 -42.06 61.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.846 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.8 mt -84.09 2.52 38.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 54.2 ttp -105.7 -40.48 5.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 t -59.98 149.4 32.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.218 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.6 t30 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.279 -0.867 . . . . 0.0 111.0 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.57 -29.42 70.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.495 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 55.3 m -61.17 -31.64 71.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -75.69 -29.78 59.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.682 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -71.82 -41.29 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.34 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.516 ' O ' HD23 ' A' ' 10' ' ' LEU . 37.8 ptt180 -75.76 -35.37 60.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -71.63 -52.33 18.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.638 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.88 -49.92 66.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD21 HD11 ' A' ' 66' ' ' ILE . 10.1 tt -56.4 -35.11 67.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.548 ' HG ' HD21 ' A' ' 52' ' ' LEU . 4.2 mm? -79.99 -56.03 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 11' ' ' LEU . 4.5 pp -52.8 -23.99 8.03 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.445 ' N ' HD12 ' A' ' 11' ' ' LEU . 99.3 m -56.15 -34.95 66.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 111.393 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.26 -44.99 3.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.066 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD12 HD13 ' A' ' 22' ' ' LEU . 2.9 mm? -58.33 -44.12 88.55 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.861 0.331 . . . . 0.0 111.254 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.13 10.4 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.431 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -122.96 -21.76 5.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.2 pt -93.8 174.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.39 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.0 p -91.18 -179.9 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.225 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.67 -39.93 80.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.65 -46.31 90.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -70.48 -28.47 65.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.033 0.444 . . . . 0.0 110.305 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 14' ' ' LEU . 30.7 tp -69.39 -32.55 71.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.489 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -77.76 -38.63 46.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.21 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -70.56 -35.18 72.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.372 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -54.72 -53.05 60.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.289 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HE3' ' HG ' ' A' ' 48' ' ' LEU . 63.1 mttp -68.44 -29.64 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.384 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -69.61 -37.94 77.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.542 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -79.53 -54.46 5.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.65 0.262 . . . . 0.0 111.423 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.62 -52.62 50.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.613 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 5.7 mp -98.12 90.67 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.433 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.2 p -92.15 -49.44 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.47 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.22 0.13 53.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.58 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.658 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 87.4 m-85 -87.33 -23.43 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.034 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 44.26 52.52 7.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.222 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.438 ' HB ' HD22 ' A' ' 30' ' ' LEU . 20.5 tt -59.16 145.72 10.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.009 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -70.45 125.93 28.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.897 -179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.484 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -67.1 -18.95 65.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.447 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -70.6 -28.53 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.177 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.486 HG23 ' HB3' ' A' ' 36' ' ' ALA . 62.5 p -62.17 -18.6 61.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 37' ' ' ARG . 10.1 mp -51.34 -15.08 0.34 Allowed 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -60.73 -50.46 73.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -129.79 14.88 2.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.637 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.69 -39.16 7.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.405 -0.816 . . . . 0.0 113.174 -179.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.65 -54.33 47.38 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.456 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.7 ptp180 -80.69 -62.34 1.7 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.425 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 65.4 p -84.72 -59.5 2.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -175.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.685 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -71.42 -60.77 2.05 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -173.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.544 ' HG ' ' HE3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -59.22 -50.43 74.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -54.01 -55.13 30.15 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.28 -39.22 82.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.34 -54.65 33.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.548 HD21 ' HG ' ' A' ' 10' ' ' LEU . 4.4 pp -54.41 -32.57 57.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.657 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.1 mm -56.92 -41.94 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 111.183 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -57.49 -27.08 62.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.696 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 m -56.52 -58.25 8.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.09 -35.36 2.83 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.89 178.93 28.85 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.03 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.777 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -64.33 -69.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.692 -179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.43 74.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.953 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.4 m -66.37 -56.05 12.94 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -59.28 -48.31 82.1 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG13 HD22 ' A' ' 9' ' ' LEU . 85.7 t -58.05 -30.87 39.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.684 0.278 . . . . 0.0 111.618 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 86.3 m -76.34 -51.04 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -23.15 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.779 0.323 . . . . 0.0 111.097 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.32 75.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.325 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.731 HD11 HD21 ' A' ' 9' ' ' LEU . 48.8 mm -66.33 -38.28 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.375 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -64.11 -41.7 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 56.4 mt -74.75 -47.88 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.88 -40.79 96.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.655 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.9 pt20 -63.44 -59.58 4.48 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 22.3 ttmm -66.01 -8.07 20.85 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -177.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.4 mm? -100.2 -41.75 6.97 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -177.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -125.94 -50.8 1.57 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.423 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 49.7 m-85 -136.68 62.78 1.59 Allowed 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -176.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.655 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 17.2 ptp -51.66 -19.24 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 0.0 111.117 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -80.97 -50.27 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.063 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.423 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.2 mt -63.03 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.672 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.64 -31.13 56.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.536 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.9 t-20 -55.03 -40.2 69.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.357 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.0 -32.59 65.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.471 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.427 HD21 ' HG ' ' A' ' 9' ' ' LEU . 50.0 tp -72.26 -44.48 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.501 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.3 pt-20 -55.98 -25.96 46.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.567 0.222 . . . . 0.0 111.399 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.66 -34.03 70.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -57.3 -30.15 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.208 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 85' ' ' LYS . 5.7 tmmm? -57.38 -35.18 69.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.224 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.89 -50.43 66.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -73.57 -29.23 62.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.36 -28.16 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.397 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -51.21 -53.12 38.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.739 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -73.53 -20.22 60.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.453 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.29 -21.57 62.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.337 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 mp -101.12 10.11 41.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.421 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 64.4 mtt -100.9 -23.6 14.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.034 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.7 p -117.89 121.93 41.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.5 p30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.466 -0.778 . . . . 0.0 111.095 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -69.5 -30.87 68.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -60.9 -26.26 67.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.16 -29.82 66.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.775 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -86.57 -30.29 21.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.235 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.57 ' HG2' HG21 ' A' ' 62' ' ' VAL . 84.6 mtm180 -81.96 -60.08 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.526 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.525 ' HG2' HD23 ' A' ' 11' ' ' LEU . 39.1 tt0 -55.05 -52.85 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.125 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.6 tpt -58.09 -49.99 75.03 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.571 HD22 HG13 ' A' ' 62' ' ' VAL . 8.8 tt -58.5 -31.9 68.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.775 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.2 mt -78.37 -60.84 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.3 pp -55.11 -25.06 29.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 -2.7 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.661 0.267 . . . . 0.0 111.625 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.16 -31.3 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.713 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 22' ' ' LEU . 3.9 mm? -72.54 -51.81 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.804 0.335 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -78.83 5.84 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.017 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -111.8 11.3 20.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 22' ' ' LEU . 39.0 pt -135.23 -178.16 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.275 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 19' ' ' GLU . 13.8 m -86.73 158.64 19.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' N ' HG22 ' A' ' 18' ' ' THR . 10.9 pt-20 -57.88 -42.31 84.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.16 -29.16 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.767 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.97 -28.15 55.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 17' ' ' ILE . 96.2 mt -58.2 -49.46 76.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.323 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -65.06 -30.59 71.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.18 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.05 -43.55 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.891 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -67.54 -35.52 79.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.001 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.612 ' HD2' HG21 ' A' ' 35' ' ' ILE . 47.9 mmtm -69.69 -40.17 76.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.86 -29.81 69.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.693 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -79.24 -55.71 4.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.688 0.28 . . . . 0.0 111.555 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.48 -51.43 23.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 111.331 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD13 ' HB ' ' A' ' 35' ' ' ILE . 7.2 mt -96.77 90.55 5.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -92.11 -49.62 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.546 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -95.27 -11.36 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.379 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.583 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 85.8 m-85 -77.99 -23.87 48.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.223 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 42.29 67.86 0.54 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.971 0.415 . . . . 0.0 110.966 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.612 HG21 ' HD2' ' A' ' 26' ' ' LYS . 10.2 tt -73.13 148.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.067 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.77 123.37 17.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.416 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' HA ' HD13 ' A' ' 40' ' ' LEU . 37.1 ptt180 -66.87 -27.67 67.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.377 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.5 p -72.96 -40.76 65.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.68 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.42 ' HB ' ' HG2' ' A' ' 47' ' ' GLU . 70.5 p -58.85 -17.62 25.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.905 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 37' ' ' ARG . 8.5 mp -48.54 -21.17 0.52 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.843 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.2 -60.42 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.336 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 m -106.59 10.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.263 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.639 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -57.2 -29.19 63.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.7 p-10 -57.12 -53.65 55.68 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.124 -0.63 . . . . 0.0 112.068 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 46' ' ' THR . 14.8 ptm180 -81.23 -61.92 1.81 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -179.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.411 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 64.5 p -83.32 -56.96 3.46 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.349 2.352 . . . . 0.0 117.349 -175.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.639 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.1 tp10 -65.58 -60.37 2.99 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 11.2 mt -55.53 -49.85 71.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -51.79 -55.47 19.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.347 -0.388 . . . . 0.0 112.02 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.29 -36.49 77.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -74.79 -59.31 2.79 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 53' ' ' ILE . 3.2 pp -63.03 -36.41 83.48 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 58' ' ' ALA . 8.5 mm -61.12 -39.3 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.317 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.38 -26.99 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.61 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -56.55 -58.44 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.08 -35.68 2.79 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.15 178.3 26.7 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.432 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.801 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.12 -69.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.01 99.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.4 m -57.78 -50.47 73.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.78 -44.69 63.58 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.571 HG13 HD22 ' A' ' 9' ' ' LEU . 70.6 t -58.34 -32.38 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.2 p -73.91 -54.06 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.66 0.267 . . . . 0.0 111.686 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -64.14 -24.16 67.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.095 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.7 -31.59 66.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 82' ' ' GLU . 38.8 mm -73.88 -41.81 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.314 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.422 ' HA ' ' NE2' ' A' ' 70' ' ' GLN . 2.8 t-20 -65.36 -39.33 92.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.83 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 74.9 mt -74.0 -46.63 45.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.752 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -62.74 -45.51 92.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.77 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.721 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 11.0 pt20 -60.58 -55.6 31.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.938 0.399 . . . . 0.0 112.03 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 14.4 mmmm -66.37 -7.37 18.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.6 mm? -104.38 -41.55 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -125.38 -51.87 1.62 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -138.33 63.57 1.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -176.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.721 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 5.2 ppp? -51.66 -13.7 0.27 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.665 0.269 . . . . 0.0 111.439 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -81.26 -49.2 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.796 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.5 tt -70.03 -37.09 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.413 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -57.95 -30.9 66.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.622 0.249 . . . . 0.0 111.377 -179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -54.23 -34.07 59.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.81 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.339 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.2 mp -72.15 -46.48 56.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.813 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -57.51 -26.73 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.944 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.81 -38.12 85.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.22 -29.47 68.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.229 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HB3' ' NZ ' ' A' ' 85' ' ' LYS . 9.0 mtpm? -52.14 -35.07 47.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.433 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 6.9 mtpm? -49.62 -52.29 31.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.142 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 7.7 tp10 -77.43 -28.84 52.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.3 -28.02 17.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.139 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 90' ' ' ARG . 11.8 pt-20 -51.43 -45.24 62.55 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.89 -21.76 60.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.733 0.301 . . . . 0.0 111.146 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -83.54 -20.87 33.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.0 tp -80.85 -22.87 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 70.7 mtm -96.66 13.73 27.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.8 m -119.25 127.86 53.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.82 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.36 -49.54 73.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.219 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -57.8 -38.0 74.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.408 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -75.5 -29.22 59.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.805 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -74.59 -35.0 62.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.653 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 7' ' ' GLU . 33.0 ptt180 -77.54 -46.47 22.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.66 0.266 . . . . 0.0 111.621 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 42.6 tt0 -64.78 -51.88 59.91 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -61.96 -44.78 96.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.58 HD21 HD11 ' A' ' 66' ' ' ILE . 10.4 tt -67.11 -40.5 86.86 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.553 HD13 HD21 ' A' ' 52' ' ' LEU . 64.8 mt -75.46 -45.11 40.57 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.9 pp -60.49 -23.74 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.562 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.49 HG21 HD21 ' A' ' 81' ' ' LEU . 31.5 m -58.47 -16.69 16.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.181 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -104.72 -50.19 0.97 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.937 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD13 HD11 ' A' ' 17' ' ' ILE . 3.7 mm? -57.58 -43.47 84.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.888 0.375 . . . . 0.0 111.07 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.82 9.87 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -134.14 22.97 3.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.352 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.45 HD11 HD13 ' A' ' 14' ' ' LEU . 34.0 pt -137.66 158.15 33.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.261 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 p -75.47 172.11 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -68.5 -42.87 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 10.4 pt-20 -58.79 -42.81 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.105 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 42.5 mt-10 -77.56 -28.49 51.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.621 HD21 HD22 ' A' ' 40' ' ' LEU . 6.8 tt -54.86 -49.75 70.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.301 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 20' ' ' GLU . 55.4 pttt -71.97 -29.3 64.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.176 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -58.87 -41.19 86.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.259 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -63.25 -55.85 21.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HE3' HD22 ' A' ' 40' ' ' LEU . 16.1 mtmm -63.79 -24.21 67.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.653 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -65.7 -46.05 80.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.296 . . . . 0.0 111.084 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.99 -47.14 21.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.425 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.891 0.377 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 15.3 mt -98.53 90.87 4.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.6 p -92.12 -50.55 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.32 . . . . 0.0 111.847 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -96.51 -7.4 34.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.885 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 73.5 m-85 -79.32 -23.68 43.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 42.95 68.3 0.52 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.364 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HB ' HD13 ' A' ' 30' ' ' LEU . 12.4 tt -65.74 154.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.21 127.63 32.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 0.0 111.92 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -67.26 -20.21 65.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.37 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.8 p -72.99 -33.85 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.285 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.553 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 70.9 p -69.91 -18.32 63.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.716 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.621 HD22 HD21 ' A' ' 22' ' ' LEU . 85.6 mt -50.15 -19.2 0.71 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.104 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.26 -63.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 111.079 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.9 m -108.46 14.05 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.692 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -50.1 -37.43 33.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.393 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -56.54 -53.77 53.64 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.874 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 46' ' ' THR . 10.5 ptp180 -80.66 -62.81 1.56 Allowed 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.415 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 58.4 p -85.21 -59.68 2.26 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.692 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 6.3 mm-40 -71.79 -60.85 2.02 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -173.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -58.1 -51.23 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -177.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' HA ' HD13 ' A' ' 10' ' ' LEU . . . -53.9 -54.44 38.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -67.91 -34.05 75.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -71.51 -57.81 4.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 10' ' ' LEU . 3.4 pp -55.2 -39.89 70.14 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.442 ' HB ' ' HA ' ' A' ' 58' ' ' ALA . 2.7 pp -70.28 -26.99 30.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.69 0.281 . . . . 0.0 111.725 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' N ' HD12 ' A' ' 53' ' ' ILE . 28.1 tt0 -58.79 -27.16 64.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.745 0.307 . . . . 0.0 111.27 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -56.39 -57.96 10.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.94 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.41 -35.51 2.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.735 0.302 . . . . 0.0 111.788 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.74 170.51 23.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.401 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . . . -70.53 -68.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.468 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.02 -32.37 46.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.29 -0.413 . . . . 0.0 112.111 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.0 m -74.98 -55.9 5.29 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -69.58 -43.81 72.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.405 HG13 HD22 ' A' ' 9' ' ' LEU . 96.8 t -58.05 -30.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 28.7 p -81.18 -50.08 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 16.7 pttp -64.33 -28.98 70.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.874 0.369 . . . . 0.0 111.182 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.88 -30.6 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.58 HD11 HD21 ' A' ' 9' ' ' LEU . 32.8 mm -61.1 -43.18 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.436 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -61.58 -42.29 98.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.772 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -71.92 -51.54 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.25 -46.12 89.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.669 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.5 pt20 -57.99 -53.22 60.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 0.0 111.736 -178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.557 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 11.8 mmmm -68.73 -7.43 33.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.58 -41.37 5.06 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -124.98 -51.25 1.68 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -137.6 64.33 1.52 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.669 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 56.8 ttp -50.52 -20.62 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.715 0.293 . . . . 0.0 111.11 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -80.66 -50.48 9.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.417 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.25 -44.22 97.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.89 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.99 56.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.799 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -52.86 -32.46 44.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.234 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -35.18 69.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.358 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD21 HG21 ' A' ' 12' ' ' THR . 96.0 mt -72.37 -47.17 51.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.895 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.56 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -54.84 -30.33 57.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.664 0.269 . . . . 0.0 111.37 -179.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.74 -38.07 85.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -61.38 -29.97 70.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -53.68 -35.57 61.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.033 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -56.96 -38.59 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -76.56 -29.09 56.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.81 -28.62 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -57.0 -54.62 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.33 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -68.72 -21.89 64.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.093 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -70.26 -47.68 60.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -82.12 5.89 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 53.1 ttm -76.23 -35.71 58.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.654 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 80.4 p -68.46 159.97 30.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.169 -0.919 . . . . 0.0 111.04 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.6 mtp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -66.18 -33.37 75.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.438 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 85.4 p -60.09 -25.41 65.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.348 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -74.97 -45.73 40.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.202 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -59.56 -29.75 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.347 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' HG2' HG21 ' A' ' 62' ' ' VAL . 51.1 mtm180 -82.6 -56.84 3.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 0.0 111.912 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' HG2' HD23 ' A' ' 11' ' ' LEU . 43.4 tt0 -57.26 -53.2 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.13 -50.48 71.72 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 66' ' ' ILE . 10.0 tt -57.5 -32.64 67.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.086 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HG ' HD21 ' A' ' 52' ' ' LEU . 3.9 mm? -80.79 -55.66 4.66 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD23 ' HG2' ' A' ' 7' ' ' GLU . 4.6 pp -55.32 -23.76 25.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.43 ' HB ' HD21 ' A' ' 81' ' ' LEU . 89.5 m -58.23 -22.63 52.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.336 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 -39.12 2.08 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.978 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.05 -48.51 79.88 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 111.212 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -81.15 4.02 21.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.528 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -118.45 24.09 11.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.685 0.279 . . . . 0.0 111.433 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.1 pt -136.96 148.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.235 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.3 p -63.95 -179.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -45.43 70.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.394 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.37 -44.87 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.346 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.18 -28.02 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.696 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.597 HD21 HD12 ' A' ' 40' ' ' LEU . 45.6 tp -65.15 -37.33 87.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.082 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -75.03 -30.46 61.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.238 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -65.76 -52.22 52.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.377 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -54.87 -37.55 66.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.089 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -66.79 -31.28 71.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.374 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -73.02 -50.87 20.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.63 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -69.26 -54.68 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.18 -52.98 63.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.715 0.293 . . . . 0.0 111.538 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.602 HD13 ' HB ' ' A' ' 35' ' ' ILE . 12.7 mt -98.49 90.54 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.0 p -91.94 -50.54 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.488 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -96.81 -8.92 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.871 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 91.7 m-85 -79.2 -24.42 43.16 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.372 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 42.13 37.92 0.98 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.072 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.602 ' HB ' HD13 ' A' ' 30' ' ' LEU . 16.1 mt -56.46 137.29 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.007 0.432 . . . . 0.0 111.076 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.49 145.69 51.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.762 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' O ' HD23 ' A' ' 40' ' ' LEU . 19.8 tpp180 -66.68 -31.01 71.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.081 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.3 p -62.52 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 19.6 m -56.54 -20.7 21.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.719 -179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.597 HD12 HD21 ' A' ' 22' ' ' LEU . 4.3 mm? -57.4 -8.78 0.85 Allowed 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.58 -58.09 7.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.821 0.344 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.31 14.52 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -46.23 -40.81 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.442 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -56.63 -52.83 63.36 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -79.73 -64.13 1.26 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.5 p -84.46 -58.33 2.78 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 117.883 2.549 . . . . 0.0 117.883 -175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -70.4 -60.67 2.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -173.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -57.12 -52.51 65.0 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -177.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.72 -54.74 29.45 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.98 -40.16 83.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -64.55 -56.23 15.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.525 HD12 HD13 ' A' ' 53' ' ' ILE . 4.4 pp -50.71 -31.87 17.8 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 58' ' ' ALA . 6.7 mm -56.2 -40.25 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.771 0.32 . . . . 0.0 111.336 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -58.51 -26.99 64.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.698 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.8 t -56.53 -59.08 5.5 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -124.72 -35.67 2.68 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 53' ' ' ILE . . . 157.22 -173.4 34.75 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.113 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -67.05 -69.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 63' ' ' THR . . . -67.98 -44.05 77.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.2 t -55.62 -53.05 61.29 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.42 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.592 HG13 HD22 ' A' ' 9' ' ' LEU . 80.3 t -69.11 -32.87 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 59' ' ' ALA . 36.6 p -74.04 -52.85 11.4 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -33.65 70.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.156 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.85 62.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.256 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 9' ' ' LEU . 39.5 mm -66.23 -44.61 91.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.378 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.56 -36.48 83.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.808 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 76.9 mt -73.47 -52.06 22.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.704 0.287 . . . . 0.0 111.61 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -61.21 -36.88 81.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.161 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.6 pt20 -69.62 -55.15 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.393 . . . . 0.0 111.646 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 58.4 mtpt -66.86 -7.41 21.59 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 2.1 mm? -109.01 -40.55 4.96 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -124.16 -51.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -177.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 74.5 m-85 -138.0 63.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.675 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 25.4 ptt? -51.05 -21.29 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.651 0.263 . . . . 0.0 111.355 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -80.91 -51.24 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 69.8 mt -62.45 -46.21 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.725 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -54.09 -30.32 48.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.955 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -52.25 -32.69 38.24 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.801 0.334 . . . . 0.0 111.277 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.67 68.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 111.148 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.56 -45.75 57.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.065 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.481 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.7 pt-20 -55.41 -32.32 62.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.619 0.247 . . . . 0.0 111.349 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.97 -33.04 74.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 4.7 ttmp? -59.55 -30.02 68.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -55.41 -35.34 65.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -54.48 -41.43 69.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 42.7 tt0 -74.68 -29.99 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.466 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -59.24 -28.6 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.269 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -53.06 -54.52 34.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.22 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.49 -17.22 61.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.2 mtpp -74.61 -24.94 58.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -97.67 5.3 49.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 52.1 ttp -82.36 -19.54 39.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.719 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.2 t -144.53 149.92 36.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.071 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.3 m120 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.173 -0.917 . . . . 0.0 110.916 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.83 -31.57 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -59.08 -35.89 74.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -73.38 -30.13 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -73.95 -39.91 63.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.7 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' HB3' HG21 ' A' ' 62' ' ' VAL . 33.5 ptt180 -81.63 -34.76 30.67 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.76 -46.2 69.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.556 ' HA ' HD22 ' A' ' 11' ' ' LEU . 16.3 tpt -70.44 -46.53 63.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.478 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.534 HD22 HG13 ' A' ' 62' ' ' VAL . 7.8 tt -56.31 -32.19 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.718 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -81.39 -58.26 3.12 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -56.22 -23.95 38.95 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.482 ' N ' HD23 ' A' ' 11' ' ' LEU . 69.1 m -60.92 -26.85 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.394 . . . . 0.0 110.755 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -103.8 -42.35 1.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.744 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.68 -44.6 77.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.667 0.27 . . . . 0.0 111.446 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.09 -3.21 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.55 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -113.83 19.35 16.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.375 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 13' ' ' GLY . 31.0 pt -133.25 177.47 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.742 0.306 . . . . 0.0 111.349 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 21' ' ' GLU . 5.0 t -95.34 172.51 8.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.39 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.42 -47.46 67.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.751 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.21 -31.78 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.463 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' H ' HG23 ' A' ' 18' ' ' THR . 0.4 OUTLIER -74.48 -28.48 61.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.262 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.7 mt -55.73 -49.14 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.419 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 57.7 mtmt -67.96 -29.46 68.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.845 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.63 -51.92 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -57.44 -54.32 48.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.433 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HD3' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -63.11 -24.36 67.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.752 -179.537 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 51.7 t80 -63.7 -43.52 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.686 0.279 . . . . 0.0 111.221 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -75.97 -55.51 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.813 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 30' ' ' LEU . . . -64.2 -53.36 50.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.669 0.271 . . . . 0.0 111.368 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.642 HD22 ' HB ' ' A' ' 35' ' ' ILE . 5.4 mp -98.5 90.72 4.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.235 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 77.1 p -91.49 -50.63 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 111.327 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.61 -8.37 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.5 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 97.4 m-85 -78.84 -23.42 45.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.509 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 44.3 68.53 0.53 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.669 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.642 ' HB ' HD22 ' A' ' 30' ' ' LEU . 8.8 tp -55.51 158.07 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' N ' HG13 ' A' ' 35' ' ' ILE . . . -85.78 119.55 26.23 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -67.01 -34.4 77.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.981 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.3 m -69.1 -34.38 75.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.298 . . . . 0.0 111.533 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 80.4 p -73.2 -17.72 61.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.853 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.5 mt -41.76 -27.81 0.12 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.26 -64.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.21 8.32 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.662 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -55.77 -29.09 59.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.31 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.529 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 4.8 p-10 -57.5 -54.11 50.5 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 120.238 -0.585 . . . . 0.0 112.308 -177.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -81.06 -61.79 1.85 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 47' ' ' GLU . 2.8 t -83.11 -56.6 3.69 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 117.409 2.374 . . . . 0.0 117.409 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.64 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -68.32 -60.77 2.2 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -173.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 57.6 mt -56.33 -44.11 79.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.469 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -55.15 -56.34 21.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.73 -33.78 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.54 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 11.1 t-80 -71.66 -57.44 4.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.68 -32.73 71.52 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.815 HD12 ' HA ' ' A' ' 58' ' ' ALA . 7.5 mm -64.41 -48.4 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 27.1 pt20 -52.91 -26.79 16.01 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -56.27 -57.15 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -122.78 -35.21 3.08 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.28 173.96 22.39 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.647 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.815 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -66.84 -69.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.94 -34.26 77.72 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.4 p -63.35 -50.0 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -72.04 -45.41 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 9' ' ' LEU . 96.5 t -58.07 -30.72 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.584 HG22 ' HE3' ' A' ' 85' ' ' LYS . 40.5 p -77.23 -51.53 10.78 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 65' ' ' ALA . 15.8 pttp -66.63 -32.16 73.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.44 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -53.71 -30.89 45.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.429 . . . . 0.0 111.016 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 82' ' ' GLU . 46.3 mm -64.26 -46.94 91.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.652 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.11 -38.56 79.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.109 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 68.8 mt -75.53 -52.12 19.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.48 -34.2 72.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.664 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 13.8 pt20 -72.4 -56.42 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.535 -179.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 28.9 mtpp -65.85 -7.76 18.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.5 mm? -103.8 -41.27 5.96 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -124.71 -50.88 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -137.39 62.66 1.58 Allowed 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.664 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 21.0 ptp -51.87 -19.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.685 0.279 . . . . 0.0 111.324 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -81.08 -51.27 8.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.228 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.1 mt -64.2 -49.85 79.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.803 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -30.94 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.639 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 6.5 t30 -53.08 -36.43 60.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.397 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.86 -32.29 65.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.418 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.9 mt -71.24 -46.77 60.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.125 -178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.6 pt-20 -55.18 -25.8 34.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.602 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.68 -33.78 70.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.921 0.391 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -65.13 -28.5 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.584 ' HE3' HG22 ' A' ' 63' ' ' THR . 5.1 ttmp? -51.26 -37.97 50.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.536 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -56.58 -36.36 69.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.32 -29.01 53.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.706 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -65.22 -28.49 69.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.23 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -51.53 -52.36 47.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.431 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -71.06 -23.39 62.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.388 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 28.7 mtpp -66.54 -28.69 68.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.169 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -104.79 -7.24 19.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.098 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 51.8 ttm -109.64 7.03 24.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.774 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.1 t -64.13 143.23 58.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.922 179.854 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -70.1 -34.46 73.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -58.35 -42.33 86.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.809 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.48 -31.28 60.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -59.49 -43.23 93.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.662 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -81.29 -34.63 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 111.514 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -64.42 -47.0 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.043 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.457 ' HA ' HD22 ' A' ' 11' ' ' LEU . 26.9 ptm -73.14 -42.63 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.481 HD11 HD11 ' A' ' 66' ' ' ILE . 6.3 tt -56.1 -32.03 63.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.643 0.258 . . . . 0.0 111.513 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.493 HD11 HD21 ' A' ' 52' ' ' LEU . 84.7 mt -82.13 -55.02 4.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -58.4 -25.31 61.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.963 -179.085 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.463 ' N ' HD23 ' A' ' 11' ' ' LEU . 10.8 p -68.29 -6.41 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.17 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.0 -41.98 0.42 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.581 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.3 mm? -58.36 -47.92 82.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.798 0.332 . . . . 0.0 111.212 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.89 10.78 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.583 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -121.02 -11.58 8.88 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.605 HD11 HD23 ' A' ' 22' ' ' LEU . 29.0 pt -100.16 175.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 111.452 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 m -84.13 155.93 22.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -56.13 -41.77 75.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.287 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.18 -31.23 72.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.89 -28.01 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.605 HD23 HD11 ' A' ' 17' ' ' ILE . 90.1 mt -53.74 -49.32 68.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.46 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -65.19 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.61 -35.08 78.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.28 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -72.33 -54.84 8.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.681 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 48' ' ' LEU . 1.3 mptm? -62.32 -35.45 79.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.836 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.27 -30.51 69.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.498 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -79.39 -55.62 4.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.536 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -71.71 -52.15 19.27 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.723 0.297 . . . . 0.0 111.194 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -97.76 91.53 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.598 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.2 p -90.42 -45.94 8.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.949 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -94.73 -15.38 23.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.594 ' HB2' ' HB3' ' A' ' 30' ' ' LEU . 58.5 m-85 -79.92 -24.7 40.89 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.042 -0.263 . . . . 0.0 111.295 -179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 41.48 68.03 0.49 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.042 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.8 mt -60.9 137.16 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.044 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB3' HG23 ' A' ' 39' ' ' THR . . . -61.53 134.72 57.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.475 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HA ' HD13 ' A' ' 40' ' ' LEU . 15.2 ptm180 -67.01 -29.76 69.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.386 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.3 t -67.44 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.791 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.608 ' HB ' ' HG3' ' A' ' 47' ' ' GLU . 67.3 p -59.4 -18.27 37.45 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.449 HD23 HD13 ' A' ' 22' ' ' LEU . 10.1 mp -55.31 -13.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.603 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -57.28 -43.52 83.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.81 13.63 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.073 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.662 ' HB1' ' HG ' ' A' ' 48' ' ' LEU . . . -50.44 -29.7 10.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.078 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 11' ' ' LEU . 7.6 p-10 -57.93 -52.74 64.26 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.868 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -79.78 -64.17 1.25 Allowed 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.9 m -83.72 -57.61 3.15 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -64.21 -59.9 3.85 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -173.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.662 ' HG ' ' HB1' ' A' ' 43' ' ' ALA . 80.7 mt -58.93 -46.21 88.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.561 ' O ' HG12 ' A' ' 53' ' ' ILE . . . -52.39 -55.79 19.33 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -68.71 -33.56 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -70.3 -58.72 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD12 HD13 ' A' ' 53' ' ' ILE . 3.6 pp -64.76 -32.82 74.68 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 58' ' ' ALA . 5.4 mm -60.15 -33.94 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.864 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -71.34 -27.1 63.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.846 0.355 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.6 t -58.23 -57.45 12.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.068 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.0 -35.19 3.05 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.61 172.85 22.16 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.501 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.85 ' HA ' HD12 ' A' ' 53' ' ' ILE . . . -61.2 -69.83 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.487 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.6 -33.02 73.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.146 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -47.25 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.499 ' HB3' HD13 ' A' ' 53' ' ' ILE . . . -71.35 -37.0 71.72 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 58' ' ' ALA . 94.1 t -68.34 -33.26 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.2 t -80.29 -40.18 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -32.2 67.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 0.0 111.042 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.29 -31.67 54.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.381 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.566 HG21 ' HB3' ' A' ' 82' ' ' GLU . 43.8 mm -66.39 -43.24 91.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.519 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 6.1 t30 -59.31 -40.46 86.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.671 -179.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 72' ' ' LEU . 60.0 mt -75.84 -51.92 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.93 0.395 . . . . 0.0 111.718 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.29 -28.21 66.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.47 -178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.617 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.9 pt20 -80.61 -54.21 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 111.62 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 30.8 mtpp -67.83 -7.69 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 68' ' ' ILE . 1.7 mm? -103.04 -41.27 6.16 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.465 HD22 ' HD2' ' A' ' 74' ' ' TYR . 1.7 p-10 -124.89 -51.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -177.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' HD2' HD22 ' A' ' 73' ' ' ASN . 66.1 m-85 -138.06 63.42 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -176.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.617 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 24.9 ptm -51.31 -17.56 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.329 . . . . 0.0 110.991 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -80.78 -51.15 8.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.9 mt -64.84 -49.99 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.929 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.43 -30.86 53.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.749 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 3.2 t-20 -52.8 -35.89 57.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.72 -34.05 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.636 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.6 mm? -71.93 -46.81 56.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.106 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB3' HG21 ' A' ' 66' ' ' ILE . 12.1 pt-20 -54.48 -26.23 30.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.675 0.274 . . . . 0.0 111.737 -179.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' ASN . 11.2 mm-40 -62.06 -35.66 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' NZ ' ' HB2' ' A' ' 84' ' ' LYS . 5.0 ttmp? -56.89 -27.89 61.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.734 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -50.82 -34.79 29.13 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -57.36 -38.01 73.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -77.52 -29.17 52.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.803 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' A' ' 91' ' ' LYS . . . -60.77 -28.63 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.422 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.64 -53.03 43.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.441 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -70.63 -16.96 62.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.112 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 88' ' ' ALA . 29.8 mtpp -82.31 -25.33 34.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 89.6 mt -94.96 1.98 55.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 45.8 ttp -81.08 -21.93 39.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.0 t -142.55 160.97 39.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.315 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.886 179.782 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.05 -29.63 70.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.457 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 78.6 p -60.51 -39.48 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -75.0 -31.04 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.026 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -70.46 -37.74 74.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 3' ' ' SER . 16.0 ptt180 -82.39 -29.14 31.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.644 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.46 -53.27 17.02 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 ptm -70.0 -44.72 68.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.614 HD22 HG13 ' A' ' 62' ' ' VAL . 10.0 tt -56.6 -33.4 66.19 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 52' ' ' LEU . 98.0 mt -83.51 -58.48 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' C ' HD12 ' A' ' 11' ' ' LEU . 3.8 pp -51.72 -25.1 6.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.5 m -54.59 -34.25 61.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.74 -44.02 2.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.938 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.7 mm? -55.37 -54.77 39.53 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 111.441 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.7 10.57 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.829 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -122.12 -24.64 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.59 0.233 . . . . 0.0 111.419 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.9 pt -90.92 165.99 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 111.304 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -84.26 157.4 21.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.89 -31.98 72.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.31 -42.14 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -77.18 -27.66 53.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.4 tp -59.76 -31.07 69.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG2' ' NH1' ' A' ' 37' ' ' ARG . 56.9 mtmt -70.4 -48.15 57.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.892 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -65.41 -34.96 79.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.58 0.229 . . . . 0.0 111.448 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -62.42 -55.63 25.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.74 0.305 . . . . 0.0 111.032 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 31.1 mmtp -58.2 -24.76 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -70.94 -36.46 72.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.46 -51.73 8.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.582 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -64.42 -53.0 55.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.662 0.268 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD22 ' N ' ' A' ' 30' ' ' LEU . 2.4 mm? -98.25 90.72 4.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.555 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 p -91.35 -50.85 5.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 111.346 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.46 -12.72 23.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -82.73 -23.8 33.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.344 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 45.48 68.64 0.55 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.558 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.404 HD13 ' HG ' ' A' ' 30' ' ' LEU . 2.1 tp -49.37 153.81 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -81.41 139.38 35.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.959 0.409 . . . . 0.0 111.546 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' NH1' ' HG2' ' A' ' 23' ' ' LYS . 22.3 tpp180 -66.99 -49.92 63.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.403 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -61.22 -28.9 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.09 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.55 HG23 ' HG3' ' A' ' 47' ' ' GLU . 11.6 m -59.63 -27.44 66.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.521 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.0 mt -57.2 -7.48 0.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 111.205 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG11 HH21 ' A' ' 45' ' ' ARG . 3.5 m -115.38 14.34 7.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.646 ' HA ' ' HB2' ' A' ' 47' ' ' GLU . . . -45.11 -37.24 4.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.62 -53.51 55.59 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.491 HH21 HG11 ' A' ' 42' ' ' VAL . 34.5 ptt180 -80.28 -63.13 1.48 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.402 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 35.3 m -84.95 -58.31 2.75 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.551 2.426 . . . . 0.0 117.551 -175.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.646 ' HB2' ' HA ' ' A' ' 43' ' ' ALA . 4.4 mm-40 -70.22 -59.65 2.76 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -173.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 0.6 OUTLIER -52.94 -38.0 61.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' HG13 ' A' ' 53' ' ' ILE . . . -64.7 -55.18 21.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 53' ' ' ILE . 7.2 m-20 -68.29 -34.42 76.12 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -62.95 -58.31 7.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.773 0.656 . . . . 0.0 112.773 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 10' ' ' LEU . 3.8 pp -54.45 -31.95 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 52' ' ' LEU . 96.1 mt -53.85 -34.88 26.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.768 0.318 . . . . 0.0 111.438 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -69.97 -27.26 64.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.444 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.2 t -70.58 -58.45 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -123.8 -35.3 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 143.13 -175.6 23.13 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.132 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HG12 ' A' ' 53' ' ' ILE . . . -71.48 -70.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.72 0.295 . . . . 0.0 111.555 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.1 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 53.1 m -66.79 -50.51 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.615 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . . . -71.09 -42.79 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG13 HD22 ' A' ' 9' ' ' LEU . 68.7 t -59.55 -30.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.606 0.241 . . . . 0.0 111.603 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.5 p -79.99 -46.87 15.88 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.615 ' HG2' ' HA ' ' A' ' 61' ' ' ALA . 18.3 pttp -67.0 -33.92 76.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 0.0 111.204 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 64' ' ' LYS . . . -54.02 -30.73 48.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.611 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 82' ' ' GLU . 23.6 mm -65.43 -40.11 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.431 ' HA ' ' OE1' ' A' ' 70' ' ' GLN . 17.6 m120 -67.25 -39.08 86.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.839 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.0 mt -75.41 -51.55 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 0.0 111.475 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -59.06 -36.31 74.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.396 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.686 ' HB2' ' HA ' ' A' ' 75' ' ' MET . 3.8 pt20 -68.64 -56.31 8.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 111.793 -178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 4.6 tppp? -66.24 -8.08 22.45 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -103.04 -40.9 6.28 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -124.39 -50.91 1.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.47 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 53.2 m-85 -137.36 63.09 1.57 Allowed 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -176.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.686 ' HA ' ' HB2' ' A' ' 70' ' ' GLN . 55.9 ttp -51.54 -19.92 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.764 0.316 . . . . 0.0 110.719 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -81.19 -49.9 10.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.403 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.47 ' HB ' ' HB3' ' A' ' 74' ' ' TYR . 61.1 mt -66.99 -50.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.86 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.615 ' HA ' HD13 ' A' ' 81' ' ' LEU . . . -56.12 -30.96 62.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.561 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 27.4 t-20 -52.98 -32.59 47.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.957 0.408 . . . . 0.0 110.833 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.63 -34.28 67.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.43 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.615 HD13 ' HA ' ' A' ' 78' ' ' ALA . 7.0 mp -72.51 -45.24 60.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.031 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.571 ' HB3' HG21 ' A' ' 66' ' ' ILE . 11.9 pt-20 -54.69 -27.05 37.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.698 0.285 . . . . 0.0 111.378 -179.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.28 -37.07 80.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.724 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.0 ttmp? -56.94 -28.83 62.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.65 -34.56 38.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.808 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -54.09 -39.51 66.39 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.8 tp10 -77.56 -29.23 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.613 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.63 63.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.544 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 93' ' ' MET . 46.5 mt-10 -50.73 -50.04 56.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.703 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.2 ptm180 -72.63 -18.09 61.61 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.619 0.247 . . . . 0.0 111.444 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -76.89 -17.13 59.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.277 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.04 9.41 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.126 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 89' ' ' GLU . 96.9 mmm -96.15 -12.12 25.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.7 t -149.65 151.14 33.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.2 m120 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.861 179.797 . . . . . . . . 0 0 . 1 stop_ save_